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]+ 222.91561 131.6
[M+Na]+ 244.89755 146.0
[M-H]- 220.90105 136.3
[M+NH4]+ 239.94215 153.8
[M+K]+ 260.87149 132.9
[M+H-H2O]+ 204.90559 133.8
[M+HCOO]- 266.90653 147.7
[M+CH3COO]- 280.92218 179.2
[M+Na-2H]- 242.88300 139.0
[M]+ 221.90778 151.0
[M]- 221.90888 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.