CID 67195107

4-(trifluoromethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C5H6F3NO
SMILES
C1C(CNC1=O)C(F)(F)F
InChI
InChI=1S/C5H6F3NO/c6-5(7,8)3-1-4(10)9-2-3/h3H,1-2H2,(H,9,10)
InChIKey
KXAVNCLUOSJVJV-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

153.04015 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04743 135.7
[M+Na]+ 176.02937 142.1
[M+NH4]+ 171.07397 140.8
[M+K]+ 192.00331 139.8
[M-H]- 152.03287 130.5
[M+Na-2H]- 174.01482 136.9
[M]+ 153.03960 134.5
[M]- 153.04070 134.5
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