CID 165593344

3,3-difluoro-1-(methoxymethyl)cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C8H12F2O3
SMILES
COCC1(CCC(C1)(F)F)C(=O)O
InChI
InChI=1S/C8H12F2O3/c1-13-5-7(6(11)12)2-3-8(9,10)4-7/h2-5H2,1H3,(H,11,12)
InChIKey
QTSNRVNDJKTDPT-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-(methoxymethyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.07545 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08273 143.0
[M+Na]+ 217.06467 149.6
[M+NH4]+ 212.10927 151.3
[M+K]+ 233.03861 143.9
[M-H]- 193.06817 139.4
[M+Na-2H]- 215.05012 146.9
[M]+ 194.07490 142.7
[M]- 194.07600 142.7
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.