CID 71700025

1379014-57-9

Structural Information

Molecular Formula

SMILES

C1CC(CC1C#N)(F)F

InChI

InChI=1S/C6H7F2N/c7-6(8)2-1-5(3-6)4-9/h5H,1-3H2

InChIKey

STKFQATVJLFZCG-UHFFFAOYSA-N

Compound name

3,3-difluorocyclopentane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 131.05466 Da
Monoisotopic Mass: 1.5
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]+	132.06194	118.8
[M+Na]+	154.04388	129.6
[M-H]-	130.04738	120.2
[M+NH4]+	149.08848	142.1
[M+K]+	170.01782	126.5
[M+H-H2O]+	114.05192	106.8
[M+HCOO]-	176.05286	137.1
[M+CH3COO]-	190.06851	184.0
[M+Na-2H]-	152.02933	124.1
[M]+	131.05411	109.5
[M]-	131.05521	109.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe