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]+ 195.08273 138.5
[M+Na]+ 217.06467 145.3
[M-H]- 193.06817 138.0
[M+NH4]+ 212.10927 160.8
[M+K]+ 233.03861 144.5
[M+H-H2O]+ 177.07271 133.0
[M+HCOO]- 239.07365 156.4
[M+CH3COO]- 253.08930 179.6
[M+Na-2H]- 215.05012 139.6
[M]+ 194.07490 134.7
[M]- 194.07600 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.