CID 212555

P-dithiin-2,3-dicarboximide, 5,6-dihydro-n-(p-chlorophenyl)-

Structural Information

Molecular Formula
C12H8ClNO2S2
SMILES
C1CSC2=C(S1)C(=O)N(C2=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C12H8ClNO2S2/c13-7-1-3-8(4-2-7)14-11(15)9-10(12(14)16)18-6-5-17-9/h1-4H,5-6H2
InChIKey
KPIARULIKZRKOJ-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-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

2
Patents

296.9685 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.97578 161.0
[M+Na]+ 319.95772 172.1
[M-H]- 295.96122 167.7
[M+NH4]+ 315.00232 180.0
[M+K]+ 335.93166 165.8
[M+H-H2O]+ 279.96576 156.6
[M+HCOO]- 341.96670 167.2
[M+CH3COO]- 355.98235 173.1
[M+Na-2H]- 317.94317 160.2
[M]+ 296.96795 164.1
[M]- 296.96905 164.1
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

patents stripe