CID 4130342

4-(thiophen-3-yl)phenol

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C2=CSC=C2)O

InChI

InChI=1S/C10H8OS/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7,11H

InChIKey

OSVHLBAYRTYKBI-UHFFFAOYSA-N

Compound name

4-thiophen-3-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 80
Patents: 176.02959 Da
Monoisotopic Mass: 2.9
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]+	177.03687	134.2
[M+Na]+	199.01881	143.8
[M-H]-	175.02231	140.7
[M+NH4]+	194.06341	156.4
[M+K]+	214.99275	139.9
[M+H-H2O]+	159.02685	129.0
[M+HCOO]-	221.02779	154.6
[M+CH3COO]-	235.04344	148.7
[M+Na-2H]-	197.00426	137.6
[M]+	176.02904	135.2
[M]-	176.03014	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe