CID 20327555

5-amino-3-bromo-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H6BrNO3
SMILES
C1=C(C=C(C(=C1C(=O)O)O)Br)N
InChI
InChI=1S/C7H6BrNO3/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2,10H,9H2,(H,11,12)
InChIKey
MKLFPGIAAXLPRB-UHFFFAOYSA-N
Compound name
5-amino-3-bromo-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

230.95311 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.960386 138.3
[M+Na]+ 253.942328 150.0
[M-H]- 229.945834 142.2
[M+NH4]+ 248.986933 158.1
[M+K]+ 269.916268 138.3
[M+H-H2O]+ 213.950370 138.1
[M+HCOO]- 275.951311 157.9
[M+CH3COO]- 289.966961 184.7
[M+Na-2H]- 251.927776 143.2
[M]+ 230.95256142 154.4
[M]- 230.95365858 154.4
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