CID 151179

Disufenton

Structural Information

Molecular Formula

C₁₁H₁₅NO₇S₂

SMILES

CC(C)(C)[N+](=CC1=C(C=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)[O-]

InChI

InChI=1S/C11H15NO7S2/c1-11(2,3)12(13)7-8-4-5-9(20(14,15)16)6-10(8)21(17,18)19/h4-7H,1-3H3,(H,14,15,16)(H,17,18,19)

InChIKey

OVTCHWSLKGENKP-UHFFFAOYSA-N

Compound name

N-tert-butyl-1-(2,4-disulfophenyl)methanimine oxide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 127
References: 1014
Patents: 337.029 Da
Monoisotopic Mass: -0.6
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]+	338.03628	169.6
[M+Na]+	360.01822	177.1
[M+NH4]+	355.06282	173.1
[M+K]+	375.99216	175.3
[M-H]-	336.02172	167.0
[M+Na-2H]-	358.00367	171.0
[M]+	337.02845	170.4
[M]-	337.02955	170.4

Literature stripe

literature stripe

Patent stripe

patents stripe