CID 9788

Difluoroacetic acid

Structural Information

Molecular Formula
C2H2F2O2
SMILES
C(C(=O)O)(F)F
InChI
InChI=1S/C2H2F2O2/c3-1(4)2(5)6/h1H,(H,5,6)
InChIKey
PBWZKZYHONABLN-UHFFFAOYSA-N
Compound name
2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

21
References

10491
Patents

96.00229 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.009566 116.0
[M+Na]+ 118.99151 124.1
[M+NH4]+ 114.03611 122.2
[M+K]+ 134.96545 121.0
[M-H]- 94.995014 111.5
[M+Na-2H]- 116.97696 118.1
[M]+ 96.001741 115.3
[M]- 96.002839 115.3
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