CID 108707

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

35
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

literature stripe

Patent stripe

patents stripe