CID 2955

Dapsone

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂S

SMILES

C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N

InChI

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

InChIKey

MQJKPEGWNLWLTK-UHFFFAOYSA-N

Compound name

4-(4-aminophenyl)sulfonylaniline

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 5280
References: 121212
Patents: 248.06195 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]+	249.069226	152.5
[M+Na]+	271.051168	161.1
[M-H]-	247.054674	158.9
[M+NH4]+	266.095773	169.2
[M+K]+	287.025108	155.9
[M+H-H2O]+	231.059210	145.5
[M+HCOO]-	293.060151	172.3
[M+CH3COO]-	307.075801	193.7
[M+Na-2H]-	269.036616	156.9
[M]+	248.06140142	151.4
[M]-	248.06249858	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe