CID 10483

Acetyl iodide

Structural Information

Molecular Formula
C2H3IO
SMILES
CC(=O)I
InChI
InChI=1S/C2H3IO/c1-2(3)4/h1H3
InChIKey
LEKJTGQWLAUGQA-UHFFFAOYSA-N
Compound name
acetyl iodide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

2627
Patents

169.92287 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.930146 115.7
[M+Na]+ 192.912088 117.3
[M-H]- 168.915594 110.0
[M+NH4]+ 187.956693 135.3
[M+K]+ 208.886028 124.0
[M+H-H2O]+ 152.920130 108.6
[M+HCOO]- 214.921071 134.9
[M+CH3COO]- 228.936721 169.7
[M+Na-2H]- 190.897536 111.0
[M]+ 169.92232142 113.3
[M]- 169.92341858 113.3
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