CID 44149024

101200-55-9

Structural Information

Molecular Formula
C30H23S3
SMILES
C1=CC=C(C=C1)SC2=CC=C(C=C2)SC3=CC=C(C=C3)[S+](C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H23S3/c1-4-10-24(11-5-1)31-25-16-18-26(19-17-25)32-27-20-22-30(23-21-27)33(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-23H/q+1
InChIKey
YXAXAWYSNCVMMQ-UHFFFAOYSA-N
Compound name
diphenyl-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.0962 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.10348 210.6
[M+Na]+ 502.08542 216.6
[M-H]- 478.08892 222.9
[M+NH4]+ 497.13002 217.5
[M+K]+ 518.05936 200.1
[M+H-H2O]+ 462.09346 203.0
[M+HCOO]- 524.09440 216.9
[M+CH3COO]- 538.11005 217.0
[M+Na-2H]- 500.07087 213.0
[M]+ 479.09565 207.8
[M]- 479.09675 207.8
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.