CID 458287

S-(4-phenylbenzoyl)sulfanyl 4-phenylbenzenecarbothioate

Structural Information

Molecular Formula
C26H18O2S2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)SSC(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H18O2S2/c27-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)29-30-26(28)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H
InChIKey
UDYVKKPDPPVNLZ-UHFFFAOYSA-N
Compound name
S-(4-phenylbenzoyl)sulfanyl 4-phenylbenzenecarbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.07483 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.08211 200.9
[M+Na]+ 449.06405 207.3
[M-H]- 425.06755 212.3
[M+NH4]+ 444.10865 210.5
[M+K]+ 465.03799 198.8
[M+H-H2O]+ 409.07209 191.2
[M+HCOO]- 471.07303 212.4
[M+CH3COO]- 485.08868 209.4
[M+Na-2H]- 447.04950 200.4
[M]+ 426.07428 202.3
[M]- 426.07538 202.3
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.