CID 12147

N-(4-iodophenyl)acetamide

Structural Information

Molecular Formula
C8H8INO
SMILES
CC(=O)NC1=CC=C(C=C1)I
InChI
InChI=1S/C8H8INO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
InChIKey
SIULLDWIXYYVCU-UHFFFAOYSA-N
Compound name
N-(4-iodophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

325
Patents

260.96506 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.97234 142.1
[M+Na]+ 283.95428 142.6
[M-H]- 259.95778 138.9
[M+NH4]+ 278.99888 157.9
[M+K]+ 299.92822 146.8
[M+H-H2O]+ 243.96232 132.7
[M+HCOO]- 305.96326 161.8
[M+CH3COO]- 319.97891 187.1
[M+Na-2H]- 281.93973 136.2
[M]+ 260.96451 138.7
[M]- 260.96561 138.7
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