CID 68517

N,n-diphenylsulfuric diamide

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂S

SMILES

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

InChI

InChI=1S/C12H12N2O2S/c13-17(15,16)14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,13,15,16)

InChIKey

JNRIMGJUBFEWOW-UHFFFAOYSA-N

Compound name

(N-sulfamoylanilino)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 139
Patents: 248.06195 Da
Monoisotopic Mass: 2.0
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]+	249.069226	152.2
[M+Na]+	271.051168	159.2
[M-H]-	247.054674	159.9
[M+NH4]+	266.095773	169.2
[M+K]+	287.025108	155.8
[M+H-H2O]+	231.059210	144.6
[M+HCOO]-	293.060151	173.2
[M+CH3COO]-	307.075801	195.2
[M+Na-2H]-	269.036616	158.4
[M]+	248.06140142	152.5
[M]-	248.06249858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe