CID 6420

Trichloroacetyl chloride

Structural Information

Molecular Formula
C2Cl4O
SMILES
C(=O)(C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C2Cl4O/c3-1(7)2(4,5)6
InChIKey
PVFOMCVHYWHZJE-UHFFFAOYSA-N
Compound name
2,2,2-trichloroacetyl chloride
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

23
References

10018
Patents

179.87033 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.87761 127.4
[M+Na]+ 202.85955 137.0
[M-H]- 178.86305 125.4
[M+NH4]+ 197.90415 147.7
[M+K]+ 218.83349 132.8
[M+H-H2O]+ 162.86759 127.0
[M+HCOO]- 224.86853 129.7
[M+CH3COO]- 238.88418 178.6
[M+Na-2H]- 200.84500 132.1
[M]+ 179.86978 127.8
[M]- 179.87088 127.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.