CID 12485468

1-(3-chlorophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H10ClNO
SMILES
C1CC(=O)N(C1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C10H10ClNO/c11-8-3-1-4-9(7-8)12-6-2-5-10(12)13/h1,3-4,7H,2,5-6H2
InChIKey
AFHUWZFARIICFX-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

195.04509 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05237 140.1
[M+Na]+ 218.03431 149.2
[M-H]- 194.03781 145.4
[M+NH4]+ 213.07891 160.8
[M+K]+ 234.00825 144.8
[M+H-H2O]+ 178.04235 133.7
[M+HCOO]- 240.04329 158.1
[M+CH3COO]- 254.05894 180.5
[M+Na-2H]- 216.01976 143.7
[M]+ 195.04454 139.6
[M]- 195.04564 139.6
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.