CID 19734

Brn 0431191

Structural Information

Molecular Formula
C11H9ClN2O4S
SMILES
C=CCN1C(=O)C2=CC(=C(C=C2C1=O)Cl)S(=O)(=O)N
InChI
InChI=1S/C11H9ClN2O4S/c1-2-3-14-10(15)6-4-8(12)9(19(13,17)18)5-7(6)11(14)16/h2,4-5H,1,3H2,(H2,13,17,18)
InChIKey
LDTCLBDGNNENEM-UHFFFAOYSA-N
Compound name
6-chloro-1,3-dioxo-2-prop-2-enylisoindole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.99716 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.00444 165.1
[M+Na]+ 322.98638 175.6
[M+NH4]+ 318.03098 170.9
[M+K]+ 338.96032 170.7
[M-H]- 298.98988 164.1
[M+Na-2H]- 320.97183 166.4
[M]+ 299.99661 166.7
[M]- 299.99771 166.7
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.