CID 527152

2-iodoethyl acetate

Structural Information

Molecular Formula
C4H7IO2
SMILES
CC(=O)OCCI
InChI
InChI=1S/C4H7IO2/c1-4(6)7-3-2-5/h2-3H2,1H3
InChIKey
DYHCCCWROHIOFM-UHFFFAOYSA-N
Compound name
2-iodoethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

213.94908 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.95636 127.4
[M+Na]+ 236.93830 130.4
[M+NH4]+ 231.98290 131.0
[M+K]+ 252.91224 128.9
[M-H]- 212.94180 120.4
[M+Na-2H]- 234.92375 119.0
[M]+ 213.94853 124.6
[M]- 213.94963 124.6
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