CID 14365663

121629-16-1

Structural Information

Molecular Formula

C₈H₁₂F₂O

SMILES

CC(=O)C1CCC(CC1)(F)F

InChI

InChI=1S/C8H12F2O/c1-6(11)7-2-4-8(9,10)5-3-7/h7H,2-5H2,1H3

InChIKey

GVQZGQHEAPUDEL-UHFFFAOYSA-N

Compound name

1-(4,4-difluorocyclohexyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 135
Patents: 162.08562 Da
Monoisotopic Mass: 1.8
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]+	163.09290	131.5
[M+Na]+	185.07484	138.2
[M-H]-	161.07834	132.2
[M+NH4]+	180.11944	154.1
[M+K]+	201.04878	137.0
[M+H-H2O]+	145.08288	125.4
[M+HCOO]-	207.08382	149.3
[M+CH3COO]-	221.09947	177.6
[M+Na-2H]-	183.06029	135.3
[M]+	162.08507	125.1
[M]-	162.08617	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe