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]+ 295.933376 146.6
[M+Na]+ 317.915318 147.9
[M-H]- 293.918824 143.3
[M+NH4]+ 312.959923 161.9
[M+K]+ 333.889258 150.1
[M+H-H2O]+ 277.923360 138.0
[M+HCOO]- 339.924301 162.1
[M+CH3COO]- 353.939951 190.7
[M+Na-2H]- 315.900766 140.4
[M]+ 294.92555142 145.2
[M]- 294.92664858 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.