CID 288478

Benzo[1,2-b:4,5-b']dithiophene-4,8-dione

Structural Information

Molecular Formula
C10H4O2S2
SMILES
C1=CSC2=C1C(=O)C3=C(C2=O)C=CS3
InChI
InChI=1S/C10H4O2S2/c11-7-5-1-3-13-9(5)8(12)6-2-4-14-10(6)7/h1-4H
InChIKey
SIUXRPJYVQQBAF-UHFFFAOYSA-N
Compound name
thieno[2,3-f][1]benzothiole-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

423
Patents

219.96527 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.972546 143.6
[M+Na]+ 242.954488 157.7
[M-H]- 218.957994 150.9
[M+NH4]+ 237.999093 169.5
[M+K]+ 258.928428 153.3
[M+H-H2O]+ 202.962530 141.2
[M+HCOO]- 264.963471 159.7
[M+CH3COO]- 278.979121 159.0
[M+Na-2H]- 240.939936 145.8
[M]+ 219.96472142 150.2
[M]- 219.96581858 150.2
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