CID 236269

1024-30-2

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₅S

SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H12N2O5S/c13-12(14)9-1-3-10(4-2-9)18(15,16)11-5-7-17-8-6-11/h1-4H,5-8H2

InChIKey

ORGHDHBPWCKATA-UHFFFAOYSA-N

Compound name

4-(4-nitrophenyl)sulfonylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 272.0467 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]+	273.053976	154.5
[M+Na]+	295.035918	159.5
[M-H]-	271.039424	160.2
[M+NH4]+	290.080523	166.9
[M+K]+	311.009858	154.1
[M+H-H2O]+	255.043960	151.4
[M+HCOO]-	317.044901	169.3
[M+CH3COO]-	331.060551	185.0
[M+Na-2H]-	293.021366	162.2
[M]+	272.04615142	152.0
[M]-	272.04724858	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe