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 154.0
[M+Na]+ 276.03979 162.1
[M-H]- 252.04329 159.3
[M+NH4]+ 271.08439 172.2
[M+K]+ 292.01373 158.3
[M+H-H2O]+ 236.04783 147.3
[M+HCOO]- 298.04877 171.1
[M+CH3COO]- 312.06442 189.9
[M+Na-2H]- 274.02524 155.5
[M]+ 253.05002 155.8
[M]- 253.05112 155.8
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

patents stripe