CID 288497

1,3-dichloro-2,6-dithia-s-indacene-4,8-dione

Structural Information

Molecular Formula
C10H2Cl2O2S2
SMILES
C1=C2C(=CS1)C(=O)C3=C(SC(=C3C2=O)Cl)Cl
InChI
InChI=1S/C10H2Cl2O2S2/c11-9-5-6(10(12)16-9)8(14)4-2-15-1-3(4)7(5)13/h1-2H
InChIKey
SQRUNFPRYUOOQP-UHFFFAOYSA-N
Compound name
1,3-dichlorothieno[3,4-f][2]benzothiole-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.88733 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.89461 159.5
[M+Na]+ 310.87655 175.5
[M-H]- 286.88005 166.9
[M+NH4]+ 305.92115 184.2
[M+K]+ 326.85049 168.8
[M+H-H2O]+ 270.88459 159.1
[M+HCOO]- 332.88553 165.8
[M+CH3COO]- 346.90118 173.9
[M+Na-2H]- 308.86200 159.1
[M]+ 287.88678 169.2
[M]- 287.88788 169.2
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

No patent data available for this compound.