CID 288501

33527-22-9

Structural Information

Molecular Formula
C10H4O2S2
SMILES
C1=CSC2=C1C(=O)C3=CSC=C3C2=O
InChI
InChI=1S/C10H4O2S2/c11-8-5-1-2-14-10(5)9(12)7-4-13-3-6(7)8/h1-4H
InChIKey
BZBRPSXQMGGREP-UHFFFAOYSA-N
Compound name
thieno[3,4-f][1]benzothiole-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

219.96527 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.97255 143.6
[M+Na]+ 242.95449 157.7
[M-H]- 218.95799 150.9
[M+NH4]+ 237.99909 169.5
[M+K]+ 258.92843 153.3
[M+H-H2O]+ 202.96253 141.2
[M+HCOO]- 264.96347 159.7
[M+CH3COO]- 278.97912 159.0
[M+Na-2H]- 240.93994 145.8
[M]+ 219.96472 150.2
[M]- 219.96582 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