CID 12682368

1527-14-6

Structural Information

Molecular Formula

C₁₃H₁₂OS

SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2CO

InChI

InChI=1S/C13H12OS/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9,14H,10H2

InChIKey

FGJNSZRGWUMNNR-UHFFFAOYSA-N

Compound name

(2-phenylsulfanylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 216.06088 Da
Monoisotopic Mass: 3.1
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]+	217.06816	145.2
[M+Na]+	239.05010	160.3
[M+NH4]+	234.09470	155.5
[M+K]+	255.02404	149.7
[M-H]-	215.05360	150.7
[M+Na-2H]-	237.03555	155.2
[M]+	216.06033	149.6
[M]-	216.06143	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe