CID 9796068

4-iodo-3-nitrobenzamide

Structural Information

Molecular Formula
C7H5IN2O3
SMILES
C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])I
InChI
InChI=1S/C7H5IN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)
InChIKey
MDOJTZQKHMAPBK-UHFFFAOYSA-N
Compound name
4-iodo-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

106
References

7413
Patents

291.93448 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.941756 152.8
[M+Na]+ 314.923698 153.2
[M-H]- 290.927204 149.6
[M+NH4]+ 309.968303 166.2
[M+K]+ 330.897638 153.6
[M+H-H2O]+ 274.931740 147.4
[M+HCOO]- 336.932681 173.0
[M+CH3COO]- 350.948331 186.2
[M+Na-2H]- 312.909146 146.1
[M]+ 291.93393142 147.3
[M]- 291.93502858 147.3
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