CID 87063

2,2,2-trichloroethyl chloroformate

Structural Information

Molecular Formula
C3H2Cl4O2
SMILES
C(C(Cl)(Cl)Cl)OC(=O)Cl
InChI
InChI=1S/C3H2Cl4O2/c4-2(8)9-1-3(5,6)7/h1H2
InChIKey
LJCZNYWLQZZIOS-UHFFFAOYSA-N
Compound name
2,2,2-trichloroethyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

22945
Patents

209.88089 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.88817 133.9
[M+Na]+ 232.87011 143.2
[M-H]- 208.87361 132.0
[M+NH4]+ 227.91471 153.3
[M+K]+ 248.84405 139.3
[M+H-H2O]+ 192.87815 133.3
[M+HCOO]- 254.87909 136.3
[M+CH3COO]- 268.89474 182.4
[M+Na-2H]- 230.85556 138.3
[M]+ 209.88034 136.0
[M]- 209.88144 136.0
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