CID 76309

Benzene, 1,3-bis(phenylthio)-

Structural Information

Molecular Formula
C18H14S2
SMILES
C1=CC=C(C=C1)SC2=CC(=CC=C2)SC3=CC=CC=C3
InChI
InChI=1S/C18H14S2/c1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16/h1-14H
InChIKey
FOXSXNJTWXVMEA-UHFFFAOYSA-N
Compound name
1,3-bis(phenylsulfanyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

294.05368 Da
Monoisotopic Mass

6.5
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

literature stripe

Patent stripe

patents stripe