CID 498988

Sulfonium, (thiodi-4,1-phenylene)bis[diphenyl-, bis[hexafluorophosphate(1-)]

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

3795
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 233.7
[M+Na]+ 579.12452 236.6
[M-H]- 555.12802 247.1
[M+NH4]+ 574.16912 236.0
[M+K]+ 595.09846 215.5
[M+H-H2O]+ 539.13256 226.7
[M+HCOO]- 601.13350 237.5
[M+CH3COO]- 615.14915 237.1
[M+Na-2H]- 577.10997 236.2
[M]+ 556.13475 227.8
[M]- 556.13585 227.8
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

patents stripe