CID 165949661

(2s)-3-(2,2-difluorocyclopropyl)-2-hydroxypropanoic acid

Structural Information

Molecular Formula
C6H8F2O3
SMILES
C1C(C1(F)F)C[C@@H](C(=O)O)O
InChI
InChI=1S/C6H8F2O3/c7-6(8)2-3(6)1-4(9)5(10)11/h3-4,9H,1-2H2,(H,10,11)/t3?,4-/m0/s1
InChIKey
JRGXDRGGNYNPMW-BKLSDQPFSA-N
Compound name
(2S)-3-(2,2-difluorocyclopropyl)-2-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 137.8
[M+Na]+ 189.03336 145.7
[M+NH4]+ 184.07796 144.6
[M+K]+ 205.00730 142.9
[M-H]- 165.03686 140.3
[M+Na-2H]- 187.01881 142.6
[M]+ 166.04359 140.2
[M]- 166.04469 140.2
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.