CID 2733327

1,2,2,2-tetrachloroethyl chloroformate

Structural Information

Molecular Formula
C3HCl5O2
SMILES
C(C(Cl)(Cl)Cl)(OC(=O)Cl)Cl
InChI
InChI=1S/C3HCl5O2/c4-1(3(6,7)8)10-2(5)9/h1H
InChIKey
RINXZIYBNVEZRT-UHFFFAOYSA-N
Compound name
1,2,2,2-tetrachloroethyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

173
Patents

243.84192 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.84920 141.2
[M+Na]+ 266.83114 149.2
[M-H]- 242.83464 137.5
[M+NH4]+ 261.87574 158.1
[M+K]+ 282.80508 145.6
[M+H-H2O]+ 226.83918 141.0
[M+HCOO]- 288.84012 137.3
[M+CH3COO]- 302.85577 190.2
[M+Na-2H]- 264.81659 142.7
[M]+ 243.84137 140.8
[M]- 243.84247 140.8
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