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

3
Patents

256.0518 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.05908 154.5
[M+Na]+ 279.04102 160.7
[M-H]- 255.04452 160.1
[M+NH4]+ 274.08562 171.0
[M+K]+ 295.01496 154.0
[M+H-H2O]+ 239.04906 152.3
[M+HCOO]- 301.05000 172.0
[M+CH3COO]- 315.06565 182.1
[M+Na-2H]- 277.02647 159.6
[M]+ 256.05125 152.3
[M]- 256.05235 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