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

20
Patents

215.0558 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06308 150.8
[M+Na]+ 238.04502 160.2
[M+NH4]+ 233.08962 156.5
[M+K]+ 254.01896 155.9
[M-H]- 214.04852 148.8
[M+Na-2H]- 236.03047 154.1
[M]+ 215.05525 151.1
[M]- 215.05635 151.1
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