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]+ 238.06293 151.2
[M+Na]+ 260.04487 159.4
[M-H]- 236.04837 156.3
[M+NH4]+ 255.08947 170.0
[M+K]+ 276.01881 154.9
[M+H-H2O]+ 220.05291 144.5
[M+HCOO]- 282.05385 168.0
[M+CH3COO]- 296.06950 188.5
[M+Na-2H]- 258.03032 152.6
[M]+ 237.05510 151.6
[M]- 237.05620 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.