CID 54488848

3-(4-chlorophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H10ClNO
SMILES
C1CNC(=O)C1C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H10ClNO/c11-8-3-1-7(2-4-8)9-5-6-12-10(9)13/h1-4,9H,5-6H2,(H,12,13)
InChIKey
XUHZYYCMBOYAHK-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

195.04509 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05237 140.6
[M+Na]+ 218.03431 149.3
[M-H]- 194.03781 144.5
[M+NH4]+ 213.07891 160.6
[M+K]+ 234.00825 144.0
[M+H-H2O]+ 178.04235 134.6
[M+HCOO]- 240.04329 157.2
[M+CH3COO]- 254.05894 153.5
[M+Na-2H]- 216.01976 143.8
[M]+ 195.04454 138.2
[M]- 195.04564 138.2
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

patents stripe