CID 482226

P-chloro-phenoxyacetyl-2-pyrrolidinone

Structural Information

Molecular Formula
C12H12ClNO3
SMILES
C1CC(=O)N(C1)C(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H12ClNO3/c13-9-3-5-10(6-4-9)17-8-12(16)14-7-1-2-11(14)15/h3-6H,1-2,7-8H2
InChIKey
AKBAKSSCWXYXFO-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenoxy)acetyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.05057 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05785 153.5
[M+Na]+ 276.03979 165.6
[M+NH4]+ 271.08439 161.0
[M+K]+ 292.01373 161.0
[M-H]- 252.04329 155.3
[M+Na-2H]- 274.02524 159.2
[M]+ 253.05002 155.7
[M]- 253.05112 155.7
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.