CID 10426

Trichloromethyl chloroformate

Structural Information

Molecular Formula
C2Cl4O2
SMILES
C(=O)(OC(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C2Cl4O2/c3-1(7)8-2(4,5)6
InChIKey
HCUYBXPSSCRKRF-UHFFFAOYSA-N
Compound name
trichloromethyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

13
References

24035
Patents

195.86523 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.87251 134.1
[M+Na]+ 218.85445 145.9
[M+NH4]+ 213.89905 141.8
[M+K]+ 234.82839 140.4
[M-H]- 194.85795 132.0
[M+Na-2H]- 216.83990 138.2
[M]+ 195.86468 136.1
[M]- 195.86578 136.1
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