CID 3077932

Brn 4759904

Structural Information

Molecular Formula
C14H14F3NO3
SMILES
CCOC1CCC(=O)N1C(=O)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C14H14F3NO3/c1-2-21-12-7-6-11(19)18(12)13(20)9-4-3-5-10(8-9)14(15,16)17/h3-5,8,12H,2,6-7H2,1H3
InChIKey
YMVZILPVKSYREU-UHFFFAOYSA-N
Compound name
5-ethoxy-1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

301.0926 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.09988 164.2
[M+Na]+ 324.08182 172.2
[M-H]- 300.08532 165.8
[M+NH4]+ 319.12642 179.8
[M+K]+ 340.05576 168.9
[M+H-H2O]+ 284.08986 154.8
[M+HCOO]- 346.09080 180.4
[M+CH3COO]- 360.10645 201.2
[M+Na-2H]- 322.06727 163.8
[M]+ 301.09205 161.1
[M]- 301.09315 161.1
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