CID 75450

Benzene, 1,1'-thiobis[3-(phenylthio)-

Structural Information

Molecular Formula
C24H18S3
SMILES
C1=CC=C(C=C1)SC2=CC(=CC=C2)SC3=CC=CC(=C3)SC4=CC=CC=C4
InChI
InChI=1S/C24H18S3/c1-3-9-19(10-4-1)25-21-13-7-15-23(17-21)27-24-16-8-14-22(18-24)26-20-11-5-2-6-12-20/h1-18H
InChIKey
NTLFAMGRPOBLEN-UHFFFAOYSA-N
Compound name
1-phenylsulfanyl-3-(3-phenylsulfanylphenyl)sulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

69
Patents

402.05707 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.06435 187.8
[M+Na]+ 425.04629 196.4
[M-H]- 401.04979 198.4
[M+NH4]+ 420.09089 199.0
[M+K]+ 441.02023 185.3
[M+H-H2O]+ 385.05433 179.3
[M+HCOO]- 447.05527 196.2
[M+CH3COO]- 461.07092 196.8
[M+Na-2H]- 423.03174 189.5
[M]+ 402.05652 188.1
[M]- 402.05762 188.1
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