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

5
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 149.2
[M+Na]+ 249.04012 156.1
[M-H]- 225.04362 154.2
[M+NH4]+ 244.08472 167.5
[M+K]+ 265.01406 148.4
[M+H-H2O]+ 209.04816 147.2
[M+HCOO]- 271.04910 167.8
[M+CH3COO]- 285.06475 180.8
[M+Na-2H]- 247.02557 153.9
[M]+ 226.05035 146.7
[M]- 226.05145 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.