CID 521305

1-chloroethyl chloroformate

Structural Information

Molecular Formula
C3H4Cl2O2
SMILES
CC(OC(=O)Cl)Cl
InChI
InChI=1S/C3H4Cl2O2/c1-2(4)7-3(5)6/h2H,1H3
InChIKey
QOPVNWQGBQYBBP-UHFFFAOYSA-N
Compound name
1-chloroethyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

16065
Patents

141.95883 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.96611 119.4
[M+Na]+ 164.94805 129.0
[M-H]- 140.95155 119.8
[M+NH4]+ 159.99265 142.3
[M+K]+ 180.92199 126.8
[M+H-H2O]+ 124.95609 117.6
[M+HCOO]- 186.95703 133.5
[M+CH3COO]- 200.97268 171.1
[M+Na-2H]- 162.93350 124.8
[M]+ 141.95828 123.1
[M]- 141.95938 123.1
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