CID 3013861

2-chloro-2-fluoroacetyl chloride

Structural Information

Molecular Formula
C2HCl2FO
SMILES
C(C(=O)Cl)(F)Cl
InChI
InChI=1S/C2HCl2FO/c3-1(5)2(4)6/h1H
InChIKey
VZJVRCWSIVAASQ-UHFFFAOYSA-N
Compound name
2-chloro-2-fluoroacetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

129.93884 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.94612 113.5
[M+Na]+ 152.92806 123.4
[M-H]- 128.93156 112.6
[M+NH4]+ 147.97266 136.7
[M+K]+ 168.90200 120.6
[M+H-H2O]+ 112.93610 111.0
[M+HCOO]- 174.93704 126.6
[M+CH3COO]- 188.95269 169.6
[M+Na-2H]- 150.91351 118.9
[M]+ 129.93829 114.3
[M]- 129.93939 114.3
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