CID 3113406

N-isobutyl-4-nitrobenzenesulfonamide

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₄S

SMILES

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

InChI

InChI=1S/C10H14N2O4S/c1-8(2)7-11-17(15,16)10-5-3-9(4-6-10)12(13)14/h3-6,8,11H,7H2,1-2H3

InChIKey

QIEVLZQUEZLVSY-UHFFFAOYSA-N

Compound name

N-(2-methylpropyl)-4-nitrobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 258.0674 Da
Monoisotopic Mass: 2.0
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]+	259.074676	152.7
[M+Na]+	281.056618	158.4
[M-H]-	257.060124	156.4
[M+NH4]+	276.101223	168.6
[M+K]+	297.030558	151.8
[M+H-H2O]+	241.064660	150.7
[M+HCOO]-	303.065601	171.8
[M+CH3COO]-	317.081251	188.5
[M+Na-2H]-	279.042066	158.5
[M]+	258.06685142	153.1
[M]-	258.06794858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe