CID 165905694

2-(3,3-difluorocyclopentyl)-2-methoxyacetic acid

Structural Information

Molecular Formula
C8H12F2O3
SMILES
COC(C1CCC(C1)(F)F)C(=O)O
InChI
InChI=1S/C8H12F2O3/c1-13-6(7(11)12)5-2-3-8(9,10)4-5/h5-6H,2-4H2,1H3,(H,11,12)
InChIKey
IRNRBOPHGGYRFW-UHFFFAOYSA-N
Compound name
2-(3,3-difluorocyclopentyl)-2-methoxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.07545 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.082726 138.5
[M+Na]+ 217.064668 145.3
[M-H]- 193.068174 138.0
[M+NH4]+ 212.109273 160.8
[M+K]+ 233.038608 144.5
[M+H-H2O]+ 177.072710 133.0
[M+HCOO]- 239.073651 156.4
[M+CH3COO]- 253.089301 179.6
[M+Na-2H]- 215.050116 139.6
[M]+ 194.07490142 134.7
[M]- 194.07599858 134.7
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.