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 186.0
[M-H]- 354.97972 179.8
[M+NH4]+ 374.02082 189.1
[M+K]+ 394.95016 180.4
[M+H-H2O]+ 338.98426 170.4
[M+HCOO]- 400.98520 181.7
[M+CH3COO]- 415.00085 204.7
[M+Na-2H]- 376.96167 175.0
[M]+ 355.98645 178.0
[M]- 355.98755 178.0
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.