CID 165879500

2-(3,3-difluorocyclopentyl)-2-hydroxyaceticacid

Structural Information

Molecular Formula
C7H10F2O3
SMILES
C1CC(CC1C(C(=O)O)O)(F)F
InChI
InChI=1S/C7H10F2O3/c8-7(9)2-1-4(3-7)5(10)6(11)12/h4-5,10H,1-3H2,(H,11,12)
InChIKey
GMTYIWLIXBKIDY-UHFFFAOYSA-N
Compound name
2-(3,3-difluorocyclopentyl)-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.0598 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06708 139.9
[M+Na]+ 203.04902 145.6
[M+NH4]+ 198.09362 146.5
[M+K]+ 219.02296 142.8
[M-H]- 179.05252 135.6
[M+Na-2H]- 201.03447 141.5
[M]+ 180.05925 139.0
[M]- 180.06035 139.0
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.