CID 12671306

{[2-hydroxy-3-(phenylsulfanyl)propyl]sulfanyl}benzene

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07155 158.6
[M+Na]+ 299.05349 164.7
[M-H]- 275.05699 163.1
[M+NH4]+ 294.09809 174.4
[M+K]+ 315.02743 158.2
[M+H-H2O]+ 259.06153 151.7
[M+HCOO]- 321.06247 169.8
[M+CH3COO]- 335.07812 169.1
[M+Na-2H]- 297.03894 159.8
[M]+ 276.06372 160.0
[M]- 276.06482 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe