CID 132146770

Nitroso dapsone

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₃S

SMILES

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

InChI

InChI=1S/C12H10N2O3S/c13-9-1-5-11(6-2-9)18(16,17)12-7-3-10(14-15)4-8-12/h1-8H,13H2

InChIKey

UAQFAHXMXOCEAD-UHFFFAOYSA-N

Compound name

4-(4-nitrosophenyl)sulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 262.0412 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]+	263.04848	154.9
[M+Na]+	285.03042	163.9
[M-H]-	261.03392	163.2
[M+NH4]+	280.07502	171.7
[M+K]+	301.00436	160.0
[M+H-H2O]+	245.03846	147.3
[M+HCOO]-	307.03940	177.1
[M+CH3COO]-	321.05505	198.1
[M+Na-2H]-	283.01587	160.8
[M]+	262.04065	157.2
[M]-	262.04175	157.2

Literature stripe

literature stripe

Patent stripe

patents stripe