CID 1268187

1-[4-(trifluoromethyl)phenyl]-2-pyrrolidinone

Structural Information

Molecular Formula
C11H10F3NO
SMILES
C1CC(=O)N(C1)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C11H10F3NO/c12-11(13,14)8-3-5-9(6-4-8)15-7-1-2-10(15)16/h3-6H,1-2,7H2
InChIKey
RNCNLNNXQWEWLX-UHFFFAOYSA-N
Compound name
1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

229.07144 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.07872 145.7
[M+Na]+ 252.06066 154.3
[M-H]- 228.06416 147.4
[M+NH4]+ 247.10526 164.2
[M+K]+ 268.03460 150.7
[M+H-H2O]+ 212.06870 136.6
[M+HCOO]- 274.06964 163.4
[M+CH3COO]- 288.08529 187.6
[M+Na-2H]- 250.04611 148.4
[M]+ 229.07089 139.7
[M]- 229.07199 139.7
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

patents stripe