CID 45090791

681262-23-7

Structural Information

Molecular Formula

C₁₀H₁₀FN

SMILES

CCCC#CC1=CC(=NC=C1)F

InChI

InChI=1S/C10H10FN/c1-2-3-4-5-9-6-7-12-10(11)8-9/h6-8H,2-3H2,1H3

InChIKey

DCLRQVZHKMPYNG-UHFFFAOYSA-N

Compound name

2-fluoro-4-pent-1-ynylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 163.07973 Da
Monoisotopic Mass: 3.0
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]+	164.08701	130.6
[M+Na]+	186.06895	141.1
[M-H]-	162.07245	130.0
[M+NH4]+	181.11355	148.0
[M+K]+	202.04289	136.8
[M+H-H2O]+	146.07699	117.4
[M+HCOO]-	208.07793	147.0
[M+CH3COO]-	222.09358	186.4
[M+Na-2H]-	184.05440	136.4
[M]+	163.07918	124.5
[M]-	163.08028	124.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe