CID 81842

Benzene, 1-phenoxy-3-((3-(phenylthio)phenyl)thio)-

Structural Information

Molecular Formula
C24H18OS2
SMILES
C1=CC=C(C=C1)OC2=CC(=CC=C2)SC3=CC=CC(=C3)SC4=CC=CC=C4
InChI
InChI=1S/C24H18OS2/c1-3-9-19(10-4-1)25-20-11-7-14-22(17-20)27-24-16-8-15-23(18-24)26-21-12-5-2-6-13-21/h1-18H
InChIKey
GYMYVSJMGDJUFO-UHFFFAOYSA-N
Compound name
1-phenoxy-3-(3-phenylsulfanylphenyl)sulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

386.0799 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.08718 188.3
[M+Na]+ 409.06912 196.3
[M-H]- 385.07262 200.0
[M+NH4]+ 404.11372 200.0
[M+K]+ 425.04306 187.4
[M+H-H2O]+ 369.07716 178.9
[M+HCOO]- 431.07810 202.2
[M+CH3COO]- 445.09375 198.2
[M+Na-2H]- 407.05457 190.5
[M]+ 386.07935 190.4
[M]- 386.08045 190.4
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