CID 498988

74227-35-3

Structural Information

Molecular Formula
C36H28S3
SMILES
C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=C(C=C3)SC4=CC=C(C=C4)[S+](C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C36H28S3/c1-5-13-31(14-6-1)38(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-30-23-27-36(28-24-30)39(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H/q+2
InChIKey
PFHLXMMCWCWAMA-UHFFFAOYSA-N
Compound name
[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3545
Patents

556.1353 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.14258 200.7
[M+Na]+ 579.12452 223.5
[M+NH4]+ 574.16912 213.6
[M+K]+ 595.09846 207.4
[M-H]- 555.12802 218.2
[M+Na-2H]- 577.10997 221.1
[M]+ 556.13475 211.6
[M]- 556.13585 211.6
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

patents stripe