CID 87971

N-(3-iodophenyl)acetamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

179
Patents

260.96506 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.972336 142.1
[M+Na]+ 283.954278 142.6
[M-H]- 259.957784 138.9
[M+NH4]+ 278.998883 157.9
[M+K]+ 299.928218 146.8
[M+H-H2O]+ 243.962320 132.7
[M+HCOO]- 305.963261 161.8
[M+CH3COO]- 319.978911 187.1
[M+Na-2H]- 281.939726 136.2
[M]+ 260.96451142 138.7
[M]- 260.96560858 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