CID 44629897

900806-58-8

Structural Information

Molecular Formula
C26H16S2
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=C(S3)C5=C(S4)C=C(C=C5)C6=CC=CC=C6
InChI
InChI=1S/C26H16S2/c1-3-7-17(8-4-1)19-11-13-21-23(15-19)27-26-22-14-12-20(16-24(22)28-25(21)26)18-9-5-2-6-10-18/h1-16H
InChIKey
SBJIDUSVEICMRY-UHFFFAOYSA-N
Compound name
2,7-diphenyl-[1]benzothiolo[3,2-b][1]benzothiole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

452
Patents

392.06934 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.07662 183.9
[M+Na]+ 415.05856 204.2
[M+NH4]+ 410.10316 197.3
[M+K]+ 431.03250 191.0
[M-H]- 391.06206 194.8
[M+Na-2H]- 413.04401 196.3
[M]+ 392.06879 191.6
[M]- 392.06989 191.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe