CID 68332836

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

230.95311 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.96039 138.3
[M+Na]+ 253.94233 150.0
[M-H]- 229.94583 142.2
[M+NH4]+ 248.98693 158.1
[M+K]+ 269.91627 138.3
[M+H-H2O]+ 213.95037 138.1
[M+HCOO]- 275.95131 157.9
[M+CH3COO]- 289.96696 184.7
[M+Na-2H]- 251.92778 143.2
[M]+ 230.95256 154.4
[M]- 230.95366 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