CID 59356827

219597-02-1

Structural Information

Molecular Formula
C22H14S2
SMILES
C1=CC=C(C=C1)C2=CC3=CC4=C(C=C(S4)C5=CC=CC=C5)C=C3S2
InChI
InChI=1S/C22H14S2/c1-3-7-15(8-4-1)19-11-17-13-22-18(14-21(17)23-19)12-20(24-22)16-9-5-2-6-10-16/h1-14H
InChIKey
WNNUVWFCGFUJFU-UHFFFAOYSA-N
Compound name
2,6-diphenylthieno[2,3-f][1]benzothiole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

342.05368 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.06096 179.0
[M+Na]+ 365.04290 193.5
[M-H]- 341.04640 192.6
[M+NH4]+ 360.08750 199.9
[M+K]+ 381.01684 185.4
[M+H-H2O]+ 325.05094 174.3
[M+HCOO]- 387.05188 196.8
[M+CH3COO]- 401.06753 192.8
[M+Na-2H]- 363.02835 181.0
[M]+ 342.05313 186.1
[M]- 342.05423 186.1
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