CID 98260

Chlorofluoroacetic acid

Structural Information

Molecular Formula
C2H2ClFO2
SMILES
C(C(=O)O)(F)Cl
InChI
InChI=1S/C2H2ClFO2/c3-1(4)2(5)6/h1H,(H,5,6)
InChIKey
JBIKZDFUXGHTHD-UHFFFAOYSA-N
Compound name
2-chloro-2-fluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

311
Patents

111.97273 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.98001 112.2
[M+Na]+ 134.96195 121.3
[M-H]- 110.96545 110.5
[M+NH4]+ 130.00655 135.1
[M+K]+ 150.93589 119.8
[M+H-H2O]+ 94.969990 108.9
[M+HCOO]- 156.97093 129.1
[M+CH3COO]- 170.98658 163.8
[M+Na-2H]- 132.94740 117.7
[M]+ 111.97218 111.6
[M]- 111.97328 111.6
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.