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]+ 301.004436 163.4
[M+Na]+ 322.986378 175.6
[M-H]- 298.989884 167.5
[M+NH4]+ 318.030983 181.6
[M+K]+ 338.960318 169.7
[M+H-H2O]+ 282.994420 159.4
[M+HCOO]- 344.995361 175.8
[M+CH3COO]- 359.011011 200.3
[M+Na-2H]- 320.971826 164.4
[M]+ 299.99661142 168.8
[M]- 299.99770858 168.8
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.