CID 247203

91619-30-6

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₄S

SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H12N2O4S/c13-12(14)9-4-3-5-10(8-9)17(15,16)11-6-1-2-7-11/h3-5,8H,1-2,6-7H2

InChIKey

BUOYKAGBVRMTEO-UHFFFAOYSA-N

Compound name

1-(3-nitrophenyl)sulfonylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 3
Patents: 256.0518 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]+	257.05908	150.5
[M+Na]+	279.04102	161.0
[M+NH4]+	274.08562	157.6
[M+K]+	295.01496	159.1
[M-H]-	255.04452	153.0
[M+Na-2H]-	277.02647	155.9
[M]+	256.05125	152.8
[M]-	256.05235	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe