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
6
Annotation Hits

13
References

25114
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 129.4
[M+Na]+ 218.85445 139.1
[M-H]- 194.85795 127.6
[M+NH4]+ 213.89905 149.3
[M+K]+ 234.82839 135.4
[M+H-H2O]+ 178.86249 129.1
[M+HCOO]- 240.86343 132.1
[M+CH3COO]- 254.87908 179.7
[M+Na-2H]- 216.83990 134.3
[M]+ 195.86468 131.2
[M]- 195.86578 131.2
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