CID 1379102

4-chloro-n-(2-iodophenyl)-3-nitrobenzamide

Structural Information

Molecular Formula
C13H8ClIN2O3
SMILES
C1=CC=C(C(=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])I
InChI
InChI=1S/C13H8ClIN2O3/c14-9-6-5-8(7-12(9)17(19)20)13(18)16-11-4-2-1-3-10(11)15/h1-7H,(H,16,18)
InChIKey
CHZXEFBHMGQDJC-UHFFFAOYSA-N
Compound name
4-chloro-N-(2-iodophenyl)-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.92682 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.93410 178.5
[M+Na]+ 424.91604 178.6
[M-H]- 400.91954 177.9
[M+NH4]+ 419.96064 188.4
[M+K]+ 440.88998 176.0
[M+H-H2O]+ 384.92408 172.1
[M+HCOO]- 446.92502 194.3
[M+CH3COO]- 460.94067 204.0
[M+Na-2H]- 422.90149 171.5
[M]+ 401.92627 175.9
[M]- 401.92737 175.9
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

No patent data available for this compound.