CID 2736890

2,2-difluoroacetyl chloride

Structural Information

Molecular Formula
C2HClF2O
SMILES
C(C(=O)Cl)(F)F
InChI
InChI=1S/C2HClF2O/c3-1(6)2(4)5/h2H
InChIKey
KURKJXZWCPWPFX-UHFFFAOYSA-N
Compound name
2,2-difluoroacetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

798
Patents

113.9684 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.975676 110.6
[M+Na]+ 136.957618 120.2
[M-H]- 112.961124 108.9
[M+NH4]+ 132.002223 134.0
[M+K]+ 152.931558 118.8
[M+H-H2O]+ 96.965660 106.3
[M+HCOO]- 158.966601 127.7
[M+CH3COO]- 172.982251 167.3
[M+Na-2H]- 134.943066 116.1
[M]+ 113.96785142 109.3
[M]- 113.96894858 109.3
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