CID 247203

1-((3-nitrophenyl)sulfonyl)pyrrolidine

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

1
Patents

256.0518 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.059076 154.5
[M+Na]+ 279.041018 160.7
[M-H]- 255.044524 160.1
[M+NH4]+ 274.085623 171.0
[M+K]+ 295.014958 154.0
[M+H-H2O]+ 239.049060 152.3
[M+HCOO]- 301.050001 172.0
[M+CH3COO]- 315.065651 182.1
[M+Na-2H]- 277.026466 159.6
[M]+ 256.05125142 152.3
[M]- 256.05234858 152.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe