CID 9852

408-08-2

Structural Information

Molecular Formula

C₆H₁₂FNO₂

SMILES

C(CCCF)CC[N+](=O)[O-]

InChI

InChI=1S/C6H12FNO2/c7-5-3-1-2-4-6-8(9)10/h1-6H2

InChIKey

OQVYNPDNUMJKRL-UHFFFAOYSA-N

Compound name

1-fluoro-6-nitrohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 149.0852 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]+	150.09248	130.9
[M+Na]+	172.07442	137.5
[M-H]-	148.07792	129.7
[M+NH4]+	167.11902	151.6
[M+K]+	188.04836	133.1
[M+H-H2O]+	132.08246	130.0
[M+HCOO]-	194.08340	155.0
[M+CH3COO]-	208.09905	171.4
[M+Na-2H]-	170.05987	137.9
[M]+	149.08465	130.0
[M]-	149.08575	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.