CID 12671306

22910-07-2

Structural Information

Molecular Formula

C₁₅H₁₆OS₂

SMILES

C1=CC=C(C=C1)SCC(CSC2=CC=CC=C2)O

InChI

InChI=1S/C15H16OS2/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15/h1-10,13,16H,11-12H2

InChIKey

UTEZTCVRMVTVSA-UHFFFAOYSA-N

Compound name

1,3-bis(phenylsulfanyl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 276.06427 Da
Monoisotopic Mass: 4.0
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]+	277.07155	156.6
[M+Na]+	299.05349	169.6
[M+NH4]+	294.09809	166.6
[M+K]+	315.02743	157.8
[M-H]-	275.05699	161.8
[M+Na-2H]-	297.03894	165.2
[M]+	276.06372	161.0
[M]-	276.06482	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe