CID 15095279

2-fluoro-4-pentylphenol

Structural Information

Molecular Formula

C₁₁H₁₅FO

SMILES

CCCCCC1=CC(=C(C=C1)O)F

InChI

InChI=1S/C11H15FO/c1-2-3-4-5-9-6-7-11(13)10(12)8-9/h6-8,13H,2-5H2,1H3

InChIKey

KSUDMDCPWIYYNA-UHFFFAOYSA-N

Compound name

2-fluoro-4-pentylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 182.11069 Da
Monoisotopic Mass: 4.0
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]+	183.11797	138.5
[M+Na]+	205.09991	146.6
[M-H]-	181.10341	139.7
[M+NH4]+	200.14451	158.4
[M+K]+	221.07385	143.4
[M+H-H2O]+	165.10795	132.3
[M+HCOO]-	227.10889	160.1
[M+CH3COO]-	241.12454	181.7
[M+Na-2H]-	203.08536	143.2
[M]+	182.11014	138.4
[M]-	182.11124	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe