CID 15582157

4-iodobutan-2-one

Structural Information

Molecular Formula
C4H7IO
SMILES
CC(=O)CCI
InChI
InChI=1S/C4H7IO/c1-4(6)2-3-5/h2-3H2,1H3
InChIKey
XRELGXKQIBXIFE-UHFFFAOYSA-N
Compound name
4-iodobutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

197.95416 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.96144 125.6
[M+Na]+ 220.94338 126.5
[M-H]- 196.94688 119.6
[M+NH4]+ 215.98798 144.2
[M+K]+ 236.91732 132.6
[M+H-H2O]+ 180.95142 118.1
[M+HCOO]- 242.95236 144.2
[M+CH3COO]- 256.96801 175.4
[M+Na-2H]- 218.92883 119.8
[M]+ 197.95361 123.9
[M]- 197.95471 123.9
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