CID 68022

P-fluorobenzyl alcohol

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1CO)F

InChI

InChI=1S/C7H7FO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2

InChIKey

GEZMEIHVFSWOCA-UHFFFAOYSA-N

Compound name

(4-fluorophenyl)methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 4333
Patents: 126.048096 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]+	127.055372	120.2
[M+Na]+	149.037314	129.1
[M-H]-	125.040820	121.8
[M+NH4]+	144.081919	142.1
[M+K]+	165.011254	127.0
[M+H-H2O]+	109.045356	114.7
[M+HCOO]-	171.046297	143.2
[M+CH3COO]-	185.061947	168.5
[M+Na-2H]-	147.022762	127.9
[M]+	126.04754742	118.3
[M]-	126.04864458	118.3

Literature stripe

literature stripe

Patent stripe

patents stripe