CID 68932475

1935300-98-3

Structural Information

Molecular Formula

C₈H₁₂F₂O₂

SMILES

CCC1(CCC(C1)(F)F)C(=O)O

InChI

InChI=1S/C8H12F2O2/c1-2-7(6(11)12)3-4-8(9,10)5-7/h2-5H2,1H3,(H,11,12)

InChIKey

DXLXHVMXGVUHDL-UHFFFAOYSA-N

Compound name

1-ethyl-3,3-difluorocyclopentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 178.08054 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	179.08782	133.8
[M+Na]+	201.06976	141.9
[M-H]-	177.07326	133.7
[M+NH4]+	196.11436	158.8
[M+K]+	217.04370	140.3
[M+H-H2O]+	161.07780	129.3
[M+HCOO]-	223.07874	152.5
[M+CH3COO]-	237.09439	176.4
[M+Na-2H]-	199.05521	137.4
[M]+	178.07999	129.5
[M]-	178.08109	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe