CID 2737505

405-64-1

Structural Information

Molecular Formula

C₉H₁₁F

SMILES

CCCC1=CC=C(C=C1)F

InChI

InChI=1S/C9H11F/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3H2,1H3

InChIKey

LUJGLFMPEZIRRP-UHFFFAOYSA-N

Compound name

1-fluoro-4-propylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1340
Patents: 138.08447 Da
Monoisotopic Mass: 3.7
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]+	139.09175	125.4
[M+Na]+	161.07369	133.9
[M-H]-	137.07719	128.0
[M+NH4]+	156.11829	147.5
[M+K]+	177.04763	131.7
[M+H-H2O]+	121.08173	119.4
[M+HCOO]-	183.08267	149.0
[M+CH3COO]-	197.09832	175.3
[M+Na-2H]-	159.05914	132.6
[M]+	138.08392	124.6
[M]-	138.08502	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe