CID 6593

Dichloroacetyl chloride

Structural Information

Molecular Formula
C2HCl3O
SMILES
C(C(=O)Cl)(Cl)Cl
InChI
InChI=1S/C2HCl3O/c3-1(4)2(5)6/h1H
InChIKey
FBCCMZVIWNDFMO-UHFFFAOYSA-N
Compound name
2,2-dichloroacetyl chloride
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

33
References

5683
Patents

145.9093 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.91658 118.3
[M+Na]+ 168.89852 127.9
[M-H]- 144.90202 117.5
[M+NH4]+ 163.94312 140.5
[M+K]+ 184.87246 124.4
[M+H-H2O]+ 128.90656 117.4
[M+HCOO]- 190.90750 126.9
[M+CH3COO]- 204.92315 173.0
[M+Na-2H]- 166.88397 123.0
[M]+ 145.90875 119.9
[M]- 145.90985 119.9
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.