CID 56647382

(5s)-5-(trifluoromethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C5H6F3NO
SMILES
C1CC(=O)N[C@@H]1C(F)(F)F
InChI
InChI=1S/C5H6F3NO/c6-5(7,8)3-1-2-4(10)9-3/h3H,1-2H2,(H,9,10)/t3-/m0/s1
InChIKey
BKONNPBZAYHNOV-VKHMYHEASA-N
Compound name
(5S)-5-(trifluoromethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

153.04015 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04743 126.0
[M+Na]+ 176.02937 134.2
[M-H]- 152.03287 123.0
[M+NH4]+ 171.07397 146.8
[M+K]+ 192.00331 132.1
[M+H-H2O]+ 136.03741 118.6
[M+HCOO]- 198.03835 142.5
[M+CH3COO]- 212.05400 170.2
[M+Na-2H]- 174.01482 129.7
[M]+ 153.03960 117.7
[M]- 153.04070 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

literature stripe

Patent stripe

patents stripe