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

literature stripe

Patent stripe

patents stripe