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

83
Patents

153.04015 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.047426 126.0
[M+Na]+ 176.029368 134.2
[M-H]- 152.032874 123.0
[M+NH4]+ 171.073973 146.8
[M+K]+ 192.003308 132.1
[M+H-H2O]+ 136.037410 118.6
[M+HCOO]- 198.038351 142.5
[M+CH3COO]- 212.054001 170.2
[M+Na-2H]- 174.014816 129.7
[M]+ 153.03960142 117.7
[M]- 153.04069858 117.7
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