CID 90664

24954-60-7

Structural Information

Molecular Formula

C₉H₁₂N₂O₄S

SMILES

CS(=O)(=O)NCCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H12N2O4S/c1-16(14,15)10-7-6-8-2-4-9(5-3-8)11(12)13/h2-5,10H,6-7H2,1H3

InChIKey

NJCUPWWIUJMALZ-UHFFFAOYSA-N

Compound name

N-[2-(4-nitrophenyl)ethyl]methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 244.05177 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]+	245.05905	147.8
[M+Na]+	267.04099	158.4
[M+NH4]+	262.08559	154.5
[M+K]+	283.01493	154.6
[M-H]-	243.04449	149.8
[M+Na-2H]-	265.02644	152.9
[M]+	244.05122	150.0
[M]-	244.05232	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe