CID 89618

22184-93-6

Structural Information

Molecular Formula

C₈H₁₀N₂O₅S

SMILES

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

InChI

InChI=1S/C8H10N2O5S/c11-5-4-9-16(14,15)8-3-1-2-7(6-8)10(12)13/h1-3,6,9,11H,4-5H2

InChIKey

JVJNXCUFDJYKJN-UHFFFAOYSA-N

Compound name

N-(2-hydroxyethyl)-3-nitrobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 246.03104 Da
Monoisotopic Mass: -0.5
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]+	247.03832	146.1
[M+Na]+	269.02026	155.8
[M+NH4]+	264.06486	152.0
[M+K]+	284.99420	153.2
[M-H]-	245.02376	147.0
[M+Na-2H]-	267.00571	150.5
[M]+	246.03049	147.8
[M]-	246.03159	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe