CID 16773277

N-(3-amino-4-chlorophenyl)-2-iodobenzamide

Structural Information

Molecular Formula
C13H10ClIN2O
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C=C2)Cl)N)I
InChI
InChI=1S/C13H10ClIN2O/c14-10-6-5-8(7-12(10)16)17-13(18)9-3-1-2-4-11(9)15/h1-7H,16H2,(H,17,18)
InChIKey
WFZAAYCXPOUSKP-UHFFFAOYSA-N
Compound name
N-(3-amino-4-chlorophenyl)-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.95264 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.95992 170.9
[M+Na]+ 394.94186 172.3
[M-H]- 370.94536 170.1
[M+NH4]+ 389.98646 182.7
[M+K]+ 410.91580 172.5
[M+H-H2O]+ 354.94990 160.4
[M+HCOO]- 416.95084 186.3
[M+CH3COO]- 430.96649 207.1
[M+Na-2H]- 392.92731 162.4
[M]+ 371.95209 167.9
[M]- 371.95319 167.9
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.