CID 285321

1-(4-chloro-2-nitrophenyl)pyrrolidine

Structural Information

Molecular Formula
C10H11ClN2O2
SMILES
C1CCN(C1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H11ClN2O2/c11-8-3-4-9(10(7-8)13(14)15)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChIKey
QATZMIJXHKOELL-UHFFFAOYSA-N
Compound name
1-(4-chloro-2-nitrophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

226.0509 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.05818 145.2
[M+Na]+ 249.04012 158.9
[M+NH4]+ 244.08472 154.2
[M+K]+ 265.01406 156.0
[M-H]- 225.04362 149.7
[M+Na-2H]- 247.02557 152.2
[M]+ 226.05035 148.5
[M]- 226.05145 148.5
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

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