CID 11458782

90711-60-7

Structural Information

Molecular Formula
C5H7IO2
SMILES
C=CCOC(=O)CI
InChI
InChI=1S/C5H7IO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2
InChIKey
QZORKJQSVCOBNB-UHFFFAOYSA-N
Compound name
prop-2-enyl 2-iodoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

225.94908 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.95636 133.0
[M+Na]+ 248.93830 133.8
[M-H]- 224.94180 126.8
[M+NH4]+ 243.98290 150.4
[M+K]+ 264.91224 139.4
[M+H-H2O]+ 208.94634 125.0
[M+HCOO]- 270.94728 151.6
[M+CH3COO]- 284.96293 178.5
[M+Na-2H]- 246.92375 126.5
[M]+ 225.94853 132.2
[M]- 225.94963 132.2
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