CID 224466

5-bromo-3-chloro-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H4BrClO3
SMILES
C1=C(C=C(C(=C1C(=O)O)O)Cl)Br
InChI
InChI=1S/C7H4BrClO3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
InChIKey
PVZZYFMHNMFPSB-UHFFFAOYSA-N
Compound name
5-bromo-3-chloro-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

249.90323 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.91051 137.1
[M+Na]+ 272.89245 151.0
[M-H]- 248.89595 141.8
[M+NH4]+ 267.93705 158.0
[M+K]+ 288.86639 138.0
[M+H-H2O]+ 232.90049 139.0
[M+HCOO]- 294.90143 152.4
[M+CH3COO]- 308.91708 184.0
[M+Na-2H]- 270.87790 142.9
[M]+ 249.90268 157.0
[M]- 249.90378 157.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe