CID 16227520

1-[4-(2-chloroacetyl)phenyl]pyrrolidin-2-one

Structural Information

Molecular Formula
C12H12ClNO2
SMILES
C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)CCl
InChI
InChI=1S/C12H12ClNO2/c13-8-11(15)9-3-5-10(6-4-9)14-7-1-2-12(14)16/h3-6H,1-2,7-8H2
InChIKey
RTWLIFXUFILKGU-UHFFFAOYSA-N
Compound name
1-[4-(2-chloroacetyl)phenyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.05565 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.062926 151.2
[M+Na]+ 260.044868 159.4
[M-H]- 236.048374 156.3
[M+NH4]+ 255.089473 170.0
[M+K]+ 276.018808 154.9
[M+H-H2O]+ 220.052910 144.5
[M+HCOO]- 282.053851 168.0
[M+CH3COO]- 296.069501 188.5
[M+Na-2H]- 258.030316 152.6
[M]+ 237.05510142 151.6
[M]- 237.05619858 151.6
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.