CID 3586494

4479-70-3

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₄S

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C14H10N2O4S/c15-21(19,20)10-7-5-9(6-8-10)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H,(H2,15,19,20)

InChIKey

OUGLLSMFRGBCIL-UHFFFAOYSA-N

Compound name

4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 34
Patents: 302.03613 Da
Monoisotopic Mass: 1.0
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]+	303.04341	165.6
[M+Na]+	325.02535	177.5
[M+NH4]+	320.06995	172.3
[M+K]+	340.99929	172.3
[M-H]-	301.02885	167.8
[M+Na-2H]-	323.01080	171.0
[M]+	302.03558	168.2
[M]-	302.03668	168.2

Literature stripe

literature stripe

Patent stripe

patents stripe