CID 225988

Bithioxanthene

Structural Information

Molecular Formula
C26H16S2
SMILES
C1=CC=C2C(=C1)C(=C3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6S2
InChI
InChI=1S/C26H16S2/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)27-21)26-19-11-3-7-15-23(19)28-24-16-8-4-12-20(24)26/h1-16H
InChIKey
SSQRJPXPKVAUAS-UHFFFAOYSA-N
Compound name
9-thioxanthen-9-ylidenethioxanthene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

392.06934 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.07662 181.6
[M+Na]+ 415.05856 190.7
[M-H]- 391.06206 189.8
[M+NH4]+ 410.10316 197.2
[M+K]+ 431.03250 181.2
[M+H-H2O]+ 375.06660 173.2
[M+HCOO]- 437.06754 188.6
[M+CH3COO]- 451.08319 190.9
[M+Na-2H]- 413.04401 188.3
[M]+ 392.06879 181.2
[M]- 392.06989 181.2
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