CID 67111687

1202077-00-6

Structural Information

Molecular Formula

C₇H₁₀F₂O

SMILES

CC(=O)C1CCC(C1)(F)F

InChI

InChI=1S/C7H10F2O/c1-5(10)6-2-3-7(8,9)4-6/h6H,2-4H2,1H3

InChIKey

ULCPHYUACJRMIJ-UHFFFAOYSA-N

Compound name

1-(3,3-difluorocyclopentyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 148.06998 Da
Monoisotopic Mass: 1.4
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]+	149.07726	126.9
[M+Na]+	171.05920	134.9
[M-H]-	147.06270	128.0
[M+NH4]+	166.10380	151.9
[M+K]+	187.03314	133.8
[M+H-H2O]+	131.06724	121.4
[M+HCOO]-	193.06818	147.2
[M+CH3COO]-	207.08383	174.3
[M+Na-2H]-	169.04465	130.1
[M]+	148.06943	122.2
[M]-	148.07053	122.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe