CID 36827

P-dithiin-2,3-dicarboximide, 5,6-dihydro-n-hydroxy-

Structural Information

Molecular Formula
C6H5NO3S2
SMILES
C1CSC2=C(S1)C(=O)N(C2=O)O
InChI
InChI=1S/C6H5NO3S2/c8-5-3-4(6(9)7(5)10)12-2-1-11-3/h10H,1-2H2
InChIKey
JCVQVKQFHHBWQJ-UHFFFAOYSA-N
Compound name
6-hydroxy-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

0
Patents

202.97108 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.97836 137.0
[M+Na]+ 225.96030 146.9
[M-H]- 201.96380 139.0
[M+NH4]+ 221.00490 157.9
[M+K]+ 241.93424 143.2
[M+H-H2O]+ 185.96834 133.1
[M+HCOO]- 247.96928 146.4
[M+CH3COO]- 261.98493 177.6
[M+Na-2H]- 223.94575 137.4
[M]+ 202.97053 137.6
[M]- 202.97163 137.6
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.