CID 3575546

546077-27-4

Structural Information

Molecular Formula

C₉H₁₂N₂O₅S

SMILES

CCS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC

InChI

InChI=1S/C9H12N2O5S/c1-3-17(14,15)10-8-5-4-7(11(12)13)6-9(8)16-2/h4-6,10H,3H2,1-2H3

InChIKey

LRLFEGMYOBTSIO-UHFFFAOYSA-N

Compound name

N-(2-methoxy-4-nitrophenyl)ethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 260.0467 Da
Monoisotopic Mass: 1.4
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]+	261.05398	151.1
[M+Na]+	283.03592	161.6
[M+NH4]+	278.08052	157.3
[M+K]+	299.00986	158.6
[M-H]-	259.03942	152.6
[M+Na-2H]-	281.02137	155.6
[M]+	260.04615	153.1
[M]-	260.04725	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe