CID 185490

4-(4-chlorophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H10ClNO
SMILES
C1C(CNC1=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H10ClNO/c11-9-3-1-7(2-4-9)8-5-10(13)12-6-8/h1-4,8H,5-6H2,(H,12,13)
InChIKey
OVRPDYOZYMCTAK-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

118
Patents

195.04509 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05237 139.9
[M+Na]+ 218.03431 153.2
[M+NH4]+ 213.07891 149.0
[M+K]+ 234.00825 147.5
[M-H]- 194.03781 142.8
[M+Na-2H]- 216.01976 146.9
[M]+ 195.04454 142.8
[M]- 195.04564 142.8
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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