CID 67799

Pentane, 5-fluoro-1-nitro-

Structural Information

Molecular Formula

C₅H₁₀FNO₂

SMILES

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

InChI

InChI=1S/C5H10FNO2/c6-4-2-1-3-5-7(8)9/h1-5H2

InChIKey

JRTRQULVYPRLDA-UHFFFAOYSA-N

Compound name

1-fluoro-5-nitropentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 135.06955 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]+	136.07683	126.0
[M+Na]+	158.05877	133.0
[M-H]-	134.06227	125.1
[M+NH4]+	153.10337	147.2
[M+K]+	174.03271	128.9
[M+H-H2O]+	118.06681	125.3
[M+HCOO]-	180.06775	150.5
[M+CH3COO]-	194.08340	168.3
[M+Na-2H]-	156.04422	133.6
[M]+	135.06900	124.8
[M]-	135.07010	124.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe