CID 28664

17641-03-1

Structural Information

Molecular Formula
C8H7ClINO
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)CI
InChI
InChI=1S/C8H7ClINO/c9-6-2-1-3-7(4-6)11-8(12)5-10/h1-4H,5H2,(H,11,12)
InChIKey
YMTHBCHAFDYSDS-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-2-iodoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.9261 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.93338 146.6
[M+Na]+ 317.91532 147.9
[M-H]- 293.91882 143.3
[M+NH4]+ 312.95992 161.9
[M+K]+ 333.88926 150.1
[M+H-H2O]+ 277.92336 138.0
[M+HCOO]- 339.92430 162.1
[M+CH3COO]- 353.93995 190.7
[M+Na-2H]- 315.90077 140.4
[M]+ 294.92555 145.2
[M]- 294.92665 145.2
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

No patent data available for this compound.