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]+ 295.060956 162.5
[M+Na]+ 317.042898 171.0
[M-H]- 293.046404 171.8
[M+NH4]+ 312.087503 178.4
[M+K]+ 333.016838 163.2
[M+H-H2O]+ 277.050940 154.8
[M+HCOO]- 339.051881 176.8
[M+CH3COO]- 353.067531 174.1
[M+Na-2H]- 315.028346 165.5
[M]+ 294.05313142 163.8
[M]- 294.05422858 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

literature stripe

Patent stripe

patents stripe