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 126.1
[M+Na]+ 189.03336 135.8
[M-H]- 165.03686 126.2
[M+NH4]+ 184.07796 142.4
[M+K]+ 205.00730 133.7
[M+H-H2O]+ 149.04140 120.8
[M+HCOO]- 211.04234 143.9
[M+CH3COO]- 225.05799 177.0
[M+Na-2H]- 187.01881 130.1
[M]+ 166.04359 126.0
[M]- 166.04469 126.0
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.