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]+ 141.035776 122.9
[M+Na]+ 163.017718 130.1
[M-H]- 139.021224 119.5
[M+NH4]+ 158.062323 143.5
[M+K]+ 178.991658 130.9
[M+H-H2O]+ 123.025760 117.0
[M+HCOO]- 185.026701 141.7
[M+CH3COO]- 199.042351 171.6
[M+Na-2H]- 161.003166 125.6
[M]+ 140.02795142 120.8
[M]- 140.02904858 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.