CID 1105929

N-(3,4-dichlorophenyl)-2-iodobenzamide

Structural Information

Molecular Formula
C13H8Cl2INO
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl)I
InChI
InChI=1S/C13H8Cl2INO/c14-10-6-5-8(7-11(10)15)17-13(18)9-3-1-2-4-12(9)16/h1-7H,(H,17,18)
InChIKey
DTWQRJYEWQONDZ-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

390.90277 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.91005 165.7
[M+Na]+ 413.89199 168.5
[M-H]- 389.89549 164.8
[M+NH4]+ 408.93659 177.9
[M+K]+ 429.86593 167.8
[M+H-H2O]+ 373.90003 156.4
[M+HCOO]- 435.90097 176.2
[M+CH3COO]- 449.91662 207.0
[M+Na-2H]- 411.87744 158.0
[M]+ 390.90222 165.8
[M]- 390.90332 165.8
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

patents stripe