CID 32477

24519-85-5

Structural Information

Molecular Formula
C6H5NO2S2
SMILES
C1CSC2=C(S1)C(=O)NC2=O
InChI
InChI=1S/C6H5NO2S2/c8-5-3-4(6(9)7-5)11-2-1-10-3/h1-2H2,(H,7,8,9)
InChIKey
XNIVQWHLYNEVBN-UHFFFAOYSA-N
Compound name
2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

186.97617 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.98345 133.9
[M+Na]+ 209.96539 143.4
[M-H]- 185.96889 135.8
[M+NH4]+ 205.00999 155.4
[M+K]+ 225.93933 139.3
[M+H-H2O]+ 169.97343 129.9
[M+HCOO]- 231.97437 143.3
[M+CH3COO]- 245.99002 146.5
[M+Na-2H]- 207.95084 134.7
[M]+ 186.97562 132.9
[M]- 186.97672 132.9
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