CID 4349993

[4-(benzylsulfanyl)phenyl]methanol

Structural Information

Molecular Formula

C₁₄H₁₄OS

SMILES

C1=CC=C(C=C1)CSC2=CC=C(C=C2)CO

InChI

InChI=1S/C14H14OS/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2

InChIKey

QRLABRQRPREVFF-UHFFFAOYSA-N

Compound name

(4-benzylsulfanylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 230.07654 Da
Monoisotopic Mass: 3.0
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]+	231.08382	149.6
[M+Na]+	253.06576	164.5
[M+NH4]+	248.11036	159.8
[M+K]+	269.03970	153.8
[M-H]-	229.06926	155.1
[M+Na-2H]-	251.05121	159.4
[M]+	230.07599	154.0
[M]-	230.07709	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe