CID 22047891

179018-41-8

Structural Information

Molecular Formula

C₁₁H₁₀OS

SMILES

C1=CC(=CC=C1CC2=CSC=C2)O

InChI

InChI=1S/C11H10OS/c12-11-3-1-9(2-4-11)7-10-5-6-13-8-10/h1-6,8,12H,7H2

InChIKey

DWCZOGPLPLLMKY-UHFFFAOYSA-N

Compound name

4-(thiophen-3-ylmethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 190.04524 Da
Monoisotopic Mass: 3.2
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]+	191.05252	139.2
[M+Na]+	213.03446	152.6
[M+NH4]+	208.07906	149.5
[M+K]+	229.00840	144.7
[M-H]-	189.03796	143.7
[M+Na-2H]-	211.01991	147.6
[M]+	190.04469	142.9
[M]-	190.04579	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe