CID 119097545

4-bromo-5-chlorobenzene-1,2-diol

Structural Information

Molecular Formula
C6H4BrClO2
SMILES
C1=C(C(=CC(=C1Cl)Br)O)O
InChI
InChI=1S/C6H4BrClO2/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H
InChIKey
RNNZLGSNEGYSIR-UHFFFAOYSA-N
Compound name
4-bromo-5-chlorobenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.90833 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.915606 131.6
[M+Na]+ 244.897548 146.0
[M-H]- 220.901054 136.3
[M+NH4]+ 239.942153 153.8
[M+K]+ 260.871488 132.9
[M+H-H2O]+ 204.905590 133.8
[M+HCOO]- 266.906531 147.7
[M+CH3COO]- 280.922181 179.2
[M+Na-2H]- 242.882996 139.0
[M]+ 221.90778142 151.0
[M]- 221.90887858 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.