CID 82196

7764-29-6

Structural Information

Molecular Formula
C16H8N2O4S
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)SN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C16H8N2O4S/c19-13-9-5-1-2-6-10(9)14(20)17(13)23-18-15(21)11-7-3-4-8-12(11)16(18)22/h1-8H
InChIKey
QYIWBOWEQBEAGP-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)sulfanylisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

119
Patents

324.02048 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.02776 173.6
[M+Na]+ 347.00970 186.6
[M+NH4]+ 342.05430 181.1
[M+K]+ 362.98364 181.8
[M-H]- 323.01320 175.8
[M+Na-2H]- 344.99515 176.9
[M]+ 324.01993 176.4
[M]- 324.02103 176.4
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