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

287
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

literature stripe

Patent stripe

patents stripe