CID 93846

Isopropenyl chloroformate

Structural Information

Molecular Formula
C4H5ClO2
SMILES
CC(=C)OC(=O)Cl
InChI
InChI=1S/C4H5ClO2/c1-3(2)7-4(5)6/h1H2,2H3
InChIKey
AMMGCGVWJMRTQI-UHFFFAOYSA-N
Compound name
prop-1-en-2-yl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1608
Patents

119.99781 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.00509 117.6
[M+Na]+ 142.98703 126.8
[M-H]- 118.99053 118.5
[M+NH4]+ 138.03163 141.0
[M+K]+ 158.96097 125.5
[M+H-H2O]+ 102.99507 114.9
[M+HCOO]- 164.99601 136.6
[M+CH3COO]- 179.01166 168.2
[M+Na-2H]- 140.97248 123.2
[M]+ 119.99726 120.2
[M]- 119.99836 120.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.