CID 84368

3-bromo-4-hydroxybenzoic acid

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

5
References

1164
Patents

215.94221 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.94949 134.3
[M+Na]+ 238.93143 137.1
[M+NH4]+ 233.97603 138.3
[M+K]+ 254.90537 138.7
[M-H]- 214.93493 133.4
[M+Na-2H]- 236.91688 136.9
[M]+ 215.94166 133.1
[M]- 215.94276 133.1
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