CID 12305

2-chloroethyl chloroformate

Structural Information

Molecular Formula
C3H4Cl2O2
SMILES
C(CCl)OC(=O)Cl
InChI
InChI=1S/C3H4Cl2O2/c4-1-2-7-3(5)6/h1-2H2
InChIKey
SVDDJQGVOFZBNX-UHFFFAOYSA-N
Compound name
2-chloroethyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

4267
Patents

141.95883 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.96611 119.9
[M+Na]+ 164.94805 132.1
[M+NH4]+ 159.99265 128.6
[M+K]+ 180.92199 126.3
[M-H]- 140.95155 119.1
[M+Na-2H]- 162.93350 124.8
[M]+ 141.95828 121.8
[M]- 141.95938 121.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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