CID 12110114

2-bromo-6-hydroxybenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

215.94221 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.94949 134.0
[M+Na]+ 238.93143 145.9
[M-H]- 214.93493 138.3
[M+NH4]+ 233.97603 154.9
[M+K]+ 254.90537 135.0
[M+H-H2O]+ 198.93947 134.7
[M+HCOO]- 260.94041 153.5
[M+CH3COO]- 274.95606 179.3
[M+Na-2H]- 236.91688 140.5
[M]+ 215.94166 151.6
[M]- 215.94276 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

No literature data available for this compound.

Patent stripe

patents stripe