CID 608010

7695-69-4

Structural Information

Molecular Formula
C19H16S2
SMILES
C1=CC=C(C=C1)C(SC2=CC=CC=C2)SC3=CC=CC=C3
InChI
InChI=1S/C19H16S2/c1-4-10-16(11-5-1)19(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15,19H
InChIKey
GSXZQHRYDJLRRT-UHFFFAOYSA-N
Compound name
bis(phenylsulfanyl)methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

308.06934 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.07662 167.0
[M+Na]+ 331.05856 173.9
[M-H]- 307.06206 175.8
[M+NH4]+ 326.10316 182.0
[M+K]+ 347.03250 166.4
[M+H-H2O]+ 291.06660 159.1
[M+HCOO]- 353.06754 180.0
[M+CH3COO]- 367.08319 177.8
[M+Na-2H]- 329.04401 169.3
[M]+ 308.06879 167.7
[M]- 308.06989 167.7
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