CID 9767

Hexanonitrile, 6-fluoro-

Structural Information

Molecular Formula

SMILES

C(CCC#N)CCF

InChI

InChI=1S/C6H10FN/c7-5-3-1-2-4-6-8/h1-5H2

InChIKey

XQPCYRPIZBEDDJ-UHFFFAOYSA-N

Compound name

6-fluorohexanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 115.07973 Da
Monoisotopic Mass: 1.3
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]+	116.087006	117.6
[M+Na]+	138.068948	126.7
[M-H]-	114.072454	117.3
[M+NH4]+	133.113553	138.3
[M+K]+	154.042888	126.0
[M+H-H2O]+	98.076990	106.1
[M+HCOO]-	160.077931	137.3
[M+CH3COO]-	174.093581	184.6
[M+Na-2H]-	136.054396	124.6
[M]+	115.07918142	113.0
[M]-	115.08027858	113.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe