CID 11207703

2-iodo-n-phenylacetamide

Structural Information

Molecular Formula
C8H8INO
SMILES
C1=CC=C(C=C1)NC(=O)CI
InChI
InChI=1S/C8H8INO/c9-6-8(11)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)
InChIKey
YXNAWCUIZOCJNG-UHFFFAOYSA-N
Compound name
2-iodo-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

106
Patents

260.96506 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.97234 143.2
[M+Na]+ 283.95428 142.9
[M-H]- 259.95778 139.7
[M+NH4]+ 278.99888 158.7
[M+K]+ 299.92822 147.0
[M+H-H2O]+ 243.96232 133.5
[M+HCOO]- 305.96326 162.9
[M+CH3COO]- 319.97891 186.0
[M+Na-2H]- 281.93973 137.9
[M]+ 260.96451 139.5
[M]- 260.96561 139.5
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