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

4670
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

literature stripe

Patent stripe

patents stripe