CID 605440

91680-55-6

Structural Information

Molecular Formula

C₁₁H₁₀OS

SMILES

C1=CSC(=C1)CC2=CC=C(C=C2)O

InChI

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

InChIKey

YHOIZMRUUWRATR-UHFFFAOYSA-N

Compound name

4-(thiophen-2-ylmethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
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	138.8
[M+Na]+	213.03446	147.9
[M-H]-	189.03796	145.0
[M+NH4]+	208.07906	160.3
[M+K]+	229.00840	143.8
[M+H-H2O]+	173.04250	133.3
[M+HCOO]-	235.04344	158.8
[M+CH3COO]-	249.05909	152.8
[M+Na-2H]-	211.01991	141.6
[M]+	190.04469	140.1
[M]-	190.04579	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe