CID 11555753

3-amino-5-iodobenzoic acid

Structural Information

Molecular Formula
C7H6INO2
SMILES
C1=C(C=C(C=C1N)I)C(=O)O
InChI
InChI=1S/C7H6INO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,9H2,(H,10,11)
InChIKey
KBYLCDHIWWCZLX-UHFFFAOYSA-N
Compound name
3-amino-5-iodobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

262.94434 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.95162 143.7
[M+Na]+ 285.93356 145.0
[M-H]- 261.93706 139.3
[M+NH4]+ 280.97816 158.6
[M+K]+ 301.90750 148.7
[M+H-H2O]+ 245.94160 134.6
[M+HCOO]- 307.94254 161.8
[M+CH3COO]- 321.95819 184.9
[M+Na-2H]- 283.91901 135.9
[M]+ 262.94379 139.0
[M]- 262.94489 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

No literature data available for this compound.

Patent stripe

patents stripe