CID 62398454

3-cyclopropyl-2,2-difluoro-3-hydroxypropanoic acid

Structural Information

Molecular Formula
C6H8F2O3
SMILES
C1CC1C(C(C(=O)O)(F)F)O
InChI
InChI=1S/C6H8F2O3/c7-6(8,5(10)11)4(9)3-1-2-3/h3-4,9H,1-2H2,(H,10,11)
InChIKey
BZJCVJPVUQUNSV-UHFFFAOYSA-N
Compound name
3-cyclopropyl-2,2-difluoro-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.04414 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05142 138.3
[M+Na]+ 189.03336 145.4
[M+NH4]+ 184.07796 143.6
[M+K]+ 205.00730 145.0
[M-H]- 165.03686 140.0
[M+Na-2H]- 187.01881 141.7
[M]+ 166.04359 140.3
[M]- 166.04469 140.3
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.