CID 86023

4-bromo-3,5-dihydroxybenzoic acid

Structural Information

Molecular Formula
C7H5BrO4
SMILES
C1=C(C=C(C(=C1O)Br)O)C(=O)O
InChI
InChI=1S/C7H5BrO4/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2,9-10H,(H,11,12)
InChIKey
NUTRHYYFCDEALP-UHFFFAOYSA-N
Compound name
4-bromo-3,5-dihydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

616
Patents

231.93712 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.94440 138.1
[M+Na]+ 254.92634 140.4
[M+NH4]+ 249.97094 141.3
[M+K]+ 270.90028 142.8
[M-H]- 230.92984 136.4
[M+Na-2H]- 252.91179 139.5
[M]+ 231.93657 136.5
[M]- 231.93767 136.5
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

patents stripe