CID 76910

Benzene, 1,2-bis(phenylthio)-

Structural Information

Molecular Formula
C18H14S2
SMILES
C1=CC=C(C=C1)SC2=CC=CC=C2SC3=CC=CC=C3
InChI
InChI=1S/C18H14S2/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20-16-11-5-2-6-12-16/h1-14H
InChIKey
GXYUTKVRTNINRK-UHFFFAOYSA-N
Compound name
1,2-bis(phenylsulfanyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

191
Patents

294.05368 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.06096 162.5
[M+Na]+ 317.04290 171.0
[M-H]- 293.04640 171.8
[M+NH4]+ 312.08750 178.4
[M+K]+ 333.01684 163.2
[M+H-H2O]+ 277.05094 154.8
[M+HCOO]- 339.05188 176.8
[M+CH3COO]- 353.06753 174.1
[M+Na-2H]- 315.02835 165.5
[M]+ 294.05313 163.8
[M]- 294.05423 163.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.