CID 66107174

4-(3,4,5-trifluorophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H8F3NO
SMILES
C1C(CNC1=O)C2=CC(=C(C(=C2)F)F)F
InChI
InChI=1S/C10H8F3NO/c11-7-1-5(2-8(12)10(7)13)6-3-9(15)14-4-6/h1-2,6H,3-4H2,(H,14,15)
InChIKey
BWUUWAXTSJRLLP-UHFFFAOYSA-N
Compound name
4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

215.0558 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.063076 140.4
[M+Na]+ 238.045018 150.4
[M-H]- 214.048524 141.2
[M+NH4]+ 233.089623 159.2
[M+K]+ 254.018958 145.6
[M+H-H2O]+ 198.053060 131.6
[M+HCOO]- 260.054001 158.5
[M+CH3COO]- 274.069651 184.6
[M+Na-2H]- 236.030466 141.1
[M]+ 215.05525142 133.6
[M]- 215.05634858 133.6
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