CID 6420973

4-bromo-3-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H5BrO3
SMILES
C1=CC(=C(C=C1C(=O)O)O)Br
InChI
InChI=1S/C7H5BrO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11)
InChIKey
PAJSESFUWIYFNF-UHFFFAOYSA-N
Compound name
4-bromo-3-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

435
Patents

215.94221 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.949486 134.0
[M+Na]+ 238.931428 145.9
[M-H]- 214.934934 138.3
[M+NH4]+ 233.976033 154.9
[M+K]+ 254.905368 135.0
[M+H-H2O]+ 198.939470 134.7
[M+HCOO]- 260.940411 153.5
[M+CH3COO]- 274.956061 179.3
[M+Na-2H]- 236.916876 140.5
[M]+ 215.94166142 151.6
[M]- 215.94275858 151.6
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