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]+ 167.051416 126.1
[M+Na]+ 189.033358 135.8
[M-H]- 165.036864 126.2
[M+NH4]+ 184.077963 142.4
[M+K]+ 205.007298 133.7
[M+H-H2O]+ 149.041400 120.8
[M+HCOO]- 211.042341 143.9
[M+CH3COO]- 225.057991 177.0
[M+Na-2H]- 187.018806 130.1
[M]+ 166.04359142 126.0
[M]- 166.04468858 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.