CID 165879500

2154029-10-2

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 134.7
[M+Na]+ 203.04902 141.5
[M-H]- 179.05252 133.0
[M+NH4]+ 198.09362 156.8
[M+K]+ 219.02296 140.1
[M+H-H2O]+ 163.05706 129.6
[M+HCOO]- 225.05800 151.4
[M+CH3COO]- 239.07365 174.0
[M+Na-2H]- 201.03447 135.8
[M]+ 180.05925 128.6
[M]- 180.06035 128.6
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.