CID 37023

2-(p-chlorophenyl)-5-oxotetrahydro-2-furanilide

Structural Information

Molecular Formula
C17H14ClNO3
SMILES
C1CC(OC1=O)(C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C17H14ClNO3/c18-13-8-6-12(7-9-13)17(11-10-15(20)22-17)16(21)19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,19,21)
InChIKey
VOHAVQIAWKWXIV-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-5-oxo-N-phenyloxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.06622 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07350 171.7
[M+Na]+ 338.05544 179.3
[M-H]- 314.05894 182.2
[M+NH4]+ 333.10004 188.6
[M+K]+ 354.02938 175.0
[M+H-H2O]+ 298.06348 164.8
[M+HCOO]- 360.06442 189.9
[M+CH3COO]- 374.08007 183.6
[M+Na-2H]- 336.04089 175.1
[M]+ 315.06567 172.7
[M]- 315.06677 172.7
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.