CID 3022156

Brn 5617211

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₆S

SMILES

C1=CC(=CC=C1NC(=O)C(=O)NS(=O)(=O)C2=CC=C(C=C2)O)O

InChI

InChI=1S/C14H12N2O6S/c17-10-3-1-9(2-4-10)15-13(19)14(20)16-23(21,22)12-7-5-11(18)6-8-12/h1-8,17-18H,(H,15,19)(H,16,20)

InChIKey

XCONFUIFSNWJNC-UHFFFAOYSA-N

Compound name

N-(4-hydroxyphenyl)-N'-(4-hydroxyphenyl)sulfonyloxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 336.0416 Da
Monoisotopic Mass: 1.2
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]+	337.048876	171.4
[M+Na]+	359.030818	176.9
[M-H]-	335.034324	175.5
[M+NH4]+	354.075423	182.7
[M+K]+	375.004758	173.2
[M+H-H2O]+	319.038860	163.8
[M+HCOO]-	381.039801	187.7
[M+CH3COO]-	395.055451	203.8
[M+Na-2H]-	357.016266	175.0
[M]+	336.04105142	171.9
[M]-	336.04214858	171.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.