CID 3849842

89474-78-2

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₄S

SMILES

C1CN(CCN1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H13N3O4S/c14-13(15)9-2-1-3-10(8-9)18(16,17)12-6-4-11-5-7-12/h1-3,8,11H,4-7H2

InChIKey

WTPICTPGGQCHOU-UHFFFAOYSA-N

Compound name

1-(3-nitrophenyl)sulfonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 271.06268 Da
Monoisotopic Mass: 0.2
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]+	272.06996	151.5
[M+Na]+	294.05190	162.4
[M+NH4]+	289.09650	157.7
[M+K]+	310.02584	159.2
[M-H]-	270.05540	153.4
[M+Na-2H]-	292.03735	157.1
[M]+	271.06213	153.6
[M]-	271.06323	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe