CID 984591

3-chloro-n-(4-iodophenyl)benzamide

Structural Information

Molecular Formula
C13H9ClINO
SMILES
C1=CC(=CC(=C1)Cl)C(=O)NC2=CC=C(C=C2)I
InChI
InChI=1S/C13H9ClINO/c14-10-3-1-2-9(8-10)13(17)16-12-6-4-11(15)5-7-12/h1-8H,(H,16,17)
InChIKey
BNCPKWWMRVBJRC-UHFFFAOYSA-N
Compound name
3-chloro-N-(4-iodophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

356.94174 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.94902 162.4
[M+Na]+ 379.93096 163.7
[M-H]- 355.93446 161.7
[M+NH4]+ 374.97556 175.1
[M+K]+ 395.90490 164.3
[M+H-H2O]+ 339.93900 152.1
[M+HCOO]- 401.93994 177.6
[M+CH3COO]- 415.95559 201.8
[M+Na-2H]- 377.91641 155.6
[M]+ 356.94119 160.7
[M]- 356.94229 160.7
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