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

24
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 140.4
[M+Na]+ 238.04502 150.4
[M-H]- 214.04852 141.2
[M+NH4]+ 233.08962 159.2
[M+K]+ 254.01896 145.6
[M+H-H2O]+ 198.05306 131.6
[M+HCOO]- 260.05400 158.5
[M+CH3COO]- 274.06965 184.6
[M+Na-2H]- 236.03047 141.1
[M]+ 215.05525 133.6
[M]- 215.05635 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