CID 81814

5-bromo-2,4-dihydroxybenzoic acid

Structural Information

Molecular Formula
C7H5BrO4
SMILES
C1=C(C(=CC(=C1Br)O)O)C(=O)O
InChI
InChI=1S/C7H5BrO4/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2,9-10H,(H,11,12)
InChIKey
ZRBCISXJLHZOMS-UHFFFAOYSA-N
Compound name
5-bromo-2,4-dihydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

506
Patents

231.93712 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.94440 136.7
[M+Na]+ 254.92634 148.8
[M-H]- 230.92984 140.0
[M+NH4]+ 249.97094 156.5
[M+K]+ 270.90028 137.5
[M+H-H2O]+ 214.93438 137.3
[M+HCOO]- 276.93532 154.8
[M+CH3COO]- 290.95097 180.2
[M+Na-2H]- 252.91179 142.1
[M]+ 231.93657 154.2
[M]- 231.93767 154.2
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