CID 288498

2,6-dithia-s-indacene-4,8-dione

Structural Information

Molecular Formula
C10H4O2S2
SMILES
C1=C2C(=CS1)C(=O)C3=CSC=C3C2=O
InChI
InChI=1S/C10H4O2S2/c11-9-5-1-13-2-6(5)10(12)8-4-14-3-7(8)9/h1-4H
InChIKey
YCQHVKQGWLAQMR-UHFFFAOYSA-N
Compound name
thieno[3,4-f][2]benzothiole-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

219.96527 Da
Monoisotopic Mass

2.2
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