CID 74595

1831-69-2

Structural Information

Molecular Formula

C₁₂H₉NO₄S

SMILES

C1=CC=C(C=C1)S(=O)(=O)ON=C2C=CC(=O)C=C2

InChI

InChI=1S/C12H9NO4S/c14-11-8-6-10(7-9-11)13-17-18(15,16)12-4-2-1-3-5-12/h1-9H

InChIKey

JOSADQDTFOIECX-UHFFFAOYSA-N

Compound name

[(4-oxocyclohexa-2,5-dien-1-ylidene)amino] benzenesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 263.02524 Da
Monoisotopic Mass: 1.7
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]+	264.03252	155.1
[M+Na]+	286.01446	167.4
[M+NH4]+	281.05906	162.5
[M+K]+	301.98840	159.5
[M-H]-	262.01796	158.3
[M+Na-2H]-	283.99991	163.5
[M]+	263.02469	158.1
[M]-	263.02579	158.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe