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]+ 195.082726 136.7
[M+Na]+ 217.064668 144.7
[M-H]- 193.068174 136.5
[M+NH4]+ 212.109273 161.0
[M+K]+ 233.038608 143.6
[M+H-H2O]+ 177.072710 132.1
[M+HCOO]- 239.073651 155.6
[M+CH3COO]- 253.089301 178.4
[M+Na-2H]- 215.050116 140.4
[M]+ 194.07490142 133.9
[M]- 194.07599858 133.9
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.