NAME: 3,4-DICHLOROPHENOL
SYNONYM: 3,4-DICHLOROPHENOL
DB#: JP000003
INCHIKEY: WDNBURPWRNALGP-UHFFFAOYSA-N
MW: 161.963920108
FORMULA: C6H4Cl2O
PRECURSORMZ: 0
ACCESSION: JP000003
AUTHOR: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
INSTRUMENT: VARIAN MAT-44
SMILES: Oc(c1)cc(Cl)c(Cl)c1
INCHI: InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
SMILES_2: [H]OC1=C([H])C([H])=C(Cl)C(Cl)=C1[H]
EXACT_MASS: 161.96392
INSTRUMENT_TYPE: EI-B
MS_LEVEL: MS1
IONIZATION_ENERGY: 70 eV
ION_TYPE: [M]+*
IONIZATION_MODE: positive
LAST_AUTO-CURATION: 1495210335820
MOLECULAR_FORMULA: C6H4Cl2O
TOTAL_EXACT_MASS: 161.963920108
NUM PEAKS: 36
51.0	2.25
53.0	6.4
60.0	4.13
61.0	9.78
62.0	20.36
63.0	32.41
64.0	5.58
71.0	2.16
72.0	8.31
73.0	13.57
74.0	6.23
75.0	5.23
81.0	8.28
82.0	5.27
83.0	2.81
91.0	2.06
97.0	6.25
98.0	25.55
99.0	33.74
100.0	9.84
101.0	12.32
107.0	2.31
109.0	2.08
126.0	7.67
127.0	3.67
128.0	2.81
133.0	5.09
134.0	7.44
135.0	3.61
136.0	4.75
161.0	3.6
162.0	99.99
163.0	8.7
164.0	62.28
165.0	4.54
166.0	9.78