CID 72911

2-amino-5-iodobenzoic acid

Structural Information

Molecular Formula
C7H6INO2
SMILES
C1=CC(=C(C=C1I)C(=O)O)N
InChI
InChI=1S/C7H6INO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey
GOLGILSVWFKZRQ-UHFFFAOYSA-N
Compound name
2-amino-5-iodobenzoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

1535
Patents

262.94434 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.951616 143.7
[M+Na]+ 285.933558 145.0
[M-H]- 261.937064 139.3
[M+NH4]+ 280.978163 158.6
[M+K]+ 301.907498 148.7
[M+H-H2O]+ 245.941600 134.6
[M+HCOO]- 307.942541 161.8
[M+CH3COO]- 321.958191 184.9
[M+Na-2H]- 283.919006 135.9
[M]+ 262.94379142 139.0
[M]- 262.94488858 139.0
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