CID 78441

N,n-dimethyl-n'-phenylsulfamide

Structural Information

Molecular Formula

C₈H₁₂N₂O₂S

SMILES

CN(C)S(=O)(=O)NC1=CC=CC=C1

InChI

InChI=1S/C8H12N2O2S/c1-10(2)13(11,12)9-8-6-4-3-5-7-8/h3-7,9H,1-2H3

InChIKey

QCDQDISRALTLNQ-UHFFFAOYSA-N

Compound name

(dimethylsulfamoylamino)benzene

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 157
Patents: 200.06195 Da
Monoisotopic Mass: 0.9
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]+	201.06923	141.6
[M+Na]+	223.05117	151.5
[M+NH4]+	218.09577	149.5
[M+K]+	239.02511	145.0
[M-H]-	199.05467	143.8
[M+Na-2H]-	221.03662	148.1
[M]+	200.06140	144.0
[M]-	200.06250	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe