CID 170912204

(2r)-3,3-difluoro-2-methoxypropanoic acid

Structural Information

Molecular Formula
C4H6F2O3
SMILES
CO[C@@H](C(F)F)C(=O)O
InChI
InChI=1S/C4H6F2O3/c1-9-2(3(5)6)4(7)8/h2-3H,1H3,(H,7,8)/t2-/m0/s1
InChIKey
DFHUEHBXRQDOAV-REOHCLBHSA-N
Compound name
(2R)-3,3-difluoro-2-methoxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.0285 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.03578 122.9
[M+Na]+ 163.01772 130.1
[M-H]- 139.02122 119.5
[M+NH4]+ 158.06232 143.5
[M+K]+ 178.99166 130.9
[M+H-H2O]+ 123.02576 117.0
[M+HCOO]- 185.02670 141.7
[M+CH3COO]- 199.04235 171.6
[M+Na-2H]- 161.00317 125.6
[M]+ 140.02795 120.8
[M]- 140.02905 120.8
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.