CID 123400053

1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C13H17BF3NO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C(=O)C(=C2)C(F)(F)F)C
InChI
InChI=1S/C13H17BF3NO3/c1-11(2)12(3,4)21-14(20-11)8-6-9(13(15,16)17)10(19)18(5)7-8/h6-7H,1-5H3
InChIKey
ZDQQEJWYZXQNAL-UHFFFAOYSA-N
Compound name
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

303.12537 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.13265 171.3
[M+Na]+ 326.11459 180.5
[M+NH4]+ 321.15919 177.8
[M+K]+ 342.08853 174.9
[M-H]- 302.11809 170.5
[M+Na-2H]- 324.10004 175.1
[M]+ 303.12482 172.5
[M]- 303.12592 172.5
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