CID 102471

4-fluoro-alpha-propylbenzenemethanol

Structural Information

Molecular Formula

C₁₀H₁₃FO

SMILES

CCCC(C1=CC=C(C=C1)F)O

InChI

InChI=1S/C10H13FO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,10,12H,2-3H2,1H3

InChIKey

IRZIMCQXZSILPU-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)butan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 168.09505 Da
Monoisotopic Mass: 2.4
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]+	169.10233	134.8
[M+Na]+	191.08427	142.1
[M-H]-	167.08777	135.8
[M+NH4]+	186.12887	154.8
[M+K]+	207.05821	139.6
[M+H-H2O]+	151.09231	128.6
[M+HCOO]-	213.09325	155.7
[M+CH3COO]-	227.10890	178.4
[M+Na-2H]-	189.06972	139.5
[M]+	168.09450	133.2
[M]-	168.09560	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe