CID 71238835

1-oxo-2,3-dihydro-1h-isoindole-4-sulfonamide

Structural Information

Molecular Formula
C8H8N2O3S
SMILES
C1C2=C(C=CC=C2S(=O)(=O)N)C(=O)N1
InChI
InChI=1S/C8H8N2O3S/c9-14(12,13)7-3-1-2-5-6(7)4-10-8(5)11/h1-3H,4H2,(H,10,11)(H2,9,12,13)
InChIKey
AQZUZSFPZQSYRU-UHFFFAOYSA-N
Compound name
1-oxo-2,3-dihydroisoindole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

212.02556 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.032836 142.1
[M+Na]+ 235.014778 152.0
[M-H]- 211.018284 144.2
[M+NH4]+ 230.059383 161.9
[M+K]+ 250.988718 147.9
[M+H-H2O]+ 195.022820 137.3
[M+HCOO]- 257.023761 158.2
[M+CH3COO]- 271.039411 180.7
[M+Na-2H]- 233.000226 146.3
[M]+ 212.02501142 141.7
[M]- 212.02610858 141.7
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.