CID 15569631

N-phenylaminosulfonamide

Structural Information

Molecular Formula

C₆H₈N₂O₂S

SMILES

C1=CC=C(C=C1)NS(=O)(=O)N

InChI

InChI=1S/C6H8N2O2S/c7-11(9,10)8-6-4-2-1-3-5-6/h1-5,8H,(H2,7,9,10)

InChIKey

DEVUYWTZRXOMSI-UHFFFAOYSA-N

Compound name

(sulfamoylamino)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 3537
Patents: 172.03065 Da
Monoisotopic Mass: 0.4
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]+	173.037926	131.4
[M+Na]+	195.019868	139.2
[M-H]-	171.023374	134.9
[M+NH4]+	190.064473	151.1
[M+K]+	210.993808	136.3
[M+H-H2O]+	155.027910	125.5
[M+HCOO]-	217.028851	152.1
[M+CH3COO]-	231.044501	177.9
[M+Na-2H]-	193.005316	138.1
[M]+	172.03010142	130.6
[M]-	172.03119858	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe