CID 59356821

1134942-20-3

Structural Information

Molecular Formula
C24H18S2
SMILES
CC1=CC=C(C=C1)C2=CC3=CC4=C(C=C(S4)C5=CC=C(C=C5)C)C=C3S2
InChI
InChI=1S/C24H18S2/c1-15-3-7-17(8-4-15)21-11-19-13-24-20(14-23(19)25-21)12-22(26-24)18-9-5-16(2)6-10-18/h3-14H,1-2H3
InChIKey
DWVXIELPJDWPNY-UHFFFAOYSA-N
Compound name
2,6-bis(4-methylphenyl)thieno[2,3-f][1]benzothiole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

370.085 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.09228 188.1
[M+Na]+ 393.07422 202.9
[M-H]- 369.07772 201.9
[M+NH4]+ 388.11882 208.2
[M+K]+ 409.04816 194.5
[M+H-H2O]+ 353.08226 183.1
[M+HCOO]- 415.08320 205.0
[M+CH3COO]- 429.09885 201.5
[M+Na-2H]- 391.05967 187.8
[M]+ 370.08445 196.5
[M]- 370.08555 196.5
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