CID 215146

35076-10-9

Structural Information

Molecular Formula
C15H16ClNO4
SMILES
C1CC(OC1=O)(C2=CC=C(C=C2)Cl)C(=O)N3CCOCC3
InChI
InChI=1S/C15H16ClNO4/c16-12-3-1-11(2-4-12)15(6-5-13(18)21-15)14(19)17-7-9-20-10-8-17/h1-4H,5-10H2
InChIKey
RKHNNZHFZAATOA-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-5-(morpholine-4-carbonyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.07678 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.08406 168.9
[M+Na]+ 332.06600 175.0
[M-H]- 308.06950 177.8
[M+NH4]+ 327.11060 183.4
[M+K]+ 348.03994 173.4
[M+H-H2O]+ 292.07404 161.7
[M+HCOO]- 354.07498 180.3
[M+CH3COO]- 368.09063 179.8
[M+Na-2H]- 330.05145 170.6
[M]+ 309.07623 168.0
[M]- 309.07733 168.0
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.