CID 18052

Allyl chloroformate

Structural Information

Molecular Formula
C4H5ClO2
SMILES
C=CCOC(=O)Cl
InChI
InChI=1S/C4H5ClO2/c1-2-3-7-4(5)6/h2H,1,3H2
InChIKey
CAEWJEXPFKNBQL-UHFFFAOYSA-N
Compound name
prop-2-enyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

7
References

17072
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 117.9
[M+Na]+ 142.98703 127.2
[M-H]- 118.99053 118.6
[M+NH4]+ 138.03163 141.3
[M+K]+ 158.96097 125.5
[M+H-H2O]+ 102.99507 115.0
[M+HCOO]- 164.99601 137.8
[M+CH3COO]- 179.01166 167.3
[M+Na-2H]- 140.97248 124.6
[M]+ 119.99726 121.0
[M]- 119.99836 121.0
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.