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]+ 241.03745 150.9
[M+Na]+ 263.01939 158.9
[M-H]- 239.02289 156.3
[M+NH4]+ 258.06399 168.8
[M+K]+ 278.99333 151.0
[M+H-H2O]+ 223.02743 149.2
[M+HCOO]- 285.02837 169.9
[M+CH3COO]- 299.04402 182.9
[M+Na-2H]- 261.00484 155.2
[M]+ 240.02962 149.5
[M]- 240.03072 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.