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]+ 203.978356 137.0
[M+Na]+ 225.960298 146.9
[M-H]- 201.963804 139.0
[M+NH4]+ 221.004903 157.9
[M+K]+ 241.934238 143.2
[M+H-H2O]+ 185.968340 133.1
[M+HCOO]- 247.969281 146.4
[M+CH3COO]- 261.984931 177.6
[M+Na-2H]- 223.945746 137.4
[M]+ 202.97053142 137.6
[M]- 202.97162858 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.