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 163.4
[M+Na]+ 322.98638 175.6
[M-H]- 298.98988 167.5
[M+NH4]+ 318.03098 181.6
[M+K]+ 338.96032 169.7
[M+H-H2O]+ 282.99442 159.4
[M+HCOO]- 344.99536 175.8
[M+CH3COO]- 359.01101 200.3
[M+Na-2H]- 320.97183 164.4
[M]+ 299.99661 168.8
[M]- 299.99771 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.