CID 39869764

1-(4-chloro-3-nitrophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H9ClN2O3
SMILES
C1CC(=O)N(C1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H9ClN2O3/c11-8-4-3-7(6-9(8)13(15)16)12-5-1-2-10(12)14/h3-4,6H,1-2,5H2
InChIKey
FLDGVCUKWQCKKY-UHFFFAOYSA-N
Compound name
1-(4-chloro-3-nitrophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.03017 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.037446 150.9
[M+Na]+ 263.019388 158.9
[M-H]- 239.022894 156.3
[M+NH4]+ 258.063993 168.8
[M+K]+ 278.993328 151.0
[M+H-H2O]+ 223.027430 149.2
[M+HCOO]- 285.028371 169.9
[M+CH3COO]- 299.044021 182.9
[M+Na-2H]- 261.004836 155.2
[M]+ 240.02962142 149.5
[M]- 240.03071858 149.5
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.