CID 96092

4443-23-6

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₄S

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCS(=O)(=O)N

InChI

InChI=1S/C10H10N2O4S/c11-17(15,16)6-5-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2,(H2,11,15,16)

InChIKey

XHVSGSRXJIQTLS-UHFFFAOYSA-N

Compound name

2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 68
Patents: 254.03613 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.04341	154.5
[M+Na]+	277.02535	163.7
[M+NH4]+	272.06995	160.6
[M+K]+	292.99929	159.7
[M-H]-	253.02885	153.7
[M+Na-2H]-	275.01080	156.7
[M]+	254.03558	155.7
[M]-	254.03668	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe