CID 2801788

7764-30-9

Structural Information

Molecular Formula
C16H8N2O4S2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)SSN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C16H8N2O4S2/c19-13-9-5-1-2-6-10(9)14(20)17(13)23-24-18-15(21)11-7-3-4-8-12(11)16(18)22/h1-8H
InChIKey
XVJMNRIABVPIOU-UHFFFAOYSA-N
Compound name
2-[(1,3-dioxoisoindol-2-yl)disulfanyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

33
Patents

355.99255 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.99983 179.8
[M+Na]+ 378.98177 192.7
[M-H]- 354.98527 187.0
[M+NH4]+ 374.02637 197.1
[M+K]+ 394.95571 186.8
[M+H-H2O]+ 338.98981 175.3
[M+HCOO]- 400.99075 190.9
[M+CH3COO]- 415.00640 191.5
[M+Na-2H]- 376.96722 178.0
[M]+ 355.99200 186.7
[M]- 355.99310 186.7
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