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 136.7
[M+Na]+ 217.06467 144.7
[M-H]- 193.06817 136.5
[M+NH4]+ 212.10927 161.0
[M+K]+ 233.03861 143.6
[M+H-H2O]+ 177.07271 132.1
[M+HCOO]- 239.07365 155.6
[M+CH3COO]- 253.08930 178.4
[M+Na-2H]- 215.05012 140.4
[M]+ 194.07490 133.9
[M]- 194.07600 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.