CID 165912476

2680612-02-4

Structural Information

Molecular Formula
C13H9ClN2O6S
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)Cl
InChI
InChI=1S/C13H9ClN2O6S/c14-23(21,22)6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h1-2,5,9H,3-4H2,(H,15,17,18)
InChIKey
BUYYYDYZKHIROD-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.987 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.99428 175.3
[M+Na]+ 378.97622 185.9
[M+NH4]+ 374.02082 180.0
[M+K]+ 394.95016 182.0
[M-H]- 354.97972 174.2
[M+Na-2H]- 376.96167 176.7
[M]+ 355.98645 176.8
[M]- 355.98755 176.8
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.