CID 5330534

2-(benzo[b]thien-2-oyl)benzo[b]thiophene

Structural Information

Molecular Formula
C17H10OS2
SMILES
C1=CC=C2C(=C1)C=C(S2)C(=O)C3=CC4=CC=CC=C4S3
InChI
InChI=1S/C17H10OS2/c18-17(15-9-11-5-1-3-7-13(11)19-15)16-10-12-6-2-4-8-14(12)20-16/h1-10H
InChIKey
XGEOFOPAAWHTSM-UHFFFAOYSA-N
Compound name
bis(1-benzothiophen-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

294.0173 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.02458 166.2
[M+Na]+ 317.00652 179.9
[M-H]- 293.01002 176.8
[M+NH4]+ 312.05112 188.9
[M+K]+ 332.98046 173.7
[M+H-H2O]+ 277.01456 162.3
[M+HCOO]- 339.01550 183.3
[M+CH3COO]- 353.03115 180.5
[M+Na-2H]- 314.99197 168.3
[M]+ 294.01675 173.9
[M]- 294.01785 173.9
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