CID 78808

Vinyl chloroformate

Structural Information

Molecular Formula
C3H3ClO2
SMILES
C=COC(=O)Cl
InChI
InChI=1S/C3H3ClO2/c1-2-6-3(4)5/h2H,1H2
InChIKey
PQLFROTZSIMBKR-UHFFFAOYSA-N
Compound name
ethenyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

8970
Patents

105.982155 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.989431 113.1
[M+Na]+ 128.971373 122.8
[M-H]- 104.974879 114.0
[M+NH4]+ 124.015978 137.1
[M+K]+ 144.945313 121.5
[M+H-H2O]+ 88.979415 110.5
[M+HCOO]- 150.980356 133.4
[M+CH3COO]- 164.996006 164.3
[M+Na-2H]- 126.956821 120.4
[M]+ 105.98160642 115.9
[M]- 105.98270358 115.9
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