CID 121215487

3-benzyl-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

Structural Information

Molecular Formula
C13H10F3NO2
SMILES
C1=CC=C(C=C1)CN2C(=O)C3C(C3C(F)(F)F)C2=O
InChI
InChI=1S/C13H10F3NO2/c14-13(15,16)10-8-9(10)12(19)17(11(8)18)6-7-4-2-1-3-5-7/h1-5,8-10H,6H2
InChIKey
RPSIOCGQFQDMEE-UHFFFAOYSA-N
Compound name
3-benzyl-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

269.06638 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07366 166.4
[M+Na]+ 292.05560 175.6
[M+NH4]+ 287.10020 171.9
[M+K]+ 308.02954 173.4
[M-H]- 268.05910 169.7
[M+Na-2H]- 290.04105 170.3
[M]+ 269.06583 169.3
[M]- 269.06693 169.3
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