CID 208633

2-amino-5-iodobenzamide

Structural Information

Molecular Formula
C7H7IN2O
SMILES
C1=CC(=C(C=C1I)C(=O)N)N
InChI
InChI=1S/C7H7IN2O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H2,10,11)
InChIKey
ZUFQMRDGVYDVAF-UHFFFAOYSA-N
Compound name
2-amino-5-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

261.9603 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.96758 146.5
[M+Na]+ 284.94952 147.4
[M-H]- 260.95302 142.9
[M+NH4]+ 279.99412 161.6
[M+K]+ 300.92346 151.1
[M+H-H2O]+ 244.95756 136.9
[M+HCOO]- 306.95850 166.1
[M+CH3COO]- 320.97415 189.5
[M+Na-2H]- 282.93497 138.2
[M]+ 261.95975 140.5
[M]- 261.96085 140.5
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