CID 71183509

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethyl)pyridine

Structural Information

Molecular Formula
C13H17BF3NO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)CC(F)(F)F
InChI
InChI=1S/C13H17BF3NO2/c1-11(2)12(3,4)20-14(19-11)9-5-6-10(18-8-9)7-13(15,16)17/h5-6,8H,7H2,1-4H3
InChIKey
NNYZBMSDICWYCK-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

287.13043 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.13771 157.3
[M+Na]+ 310.11965 167.5
[M-H]- 286.12315 160.9
[M+NH4]+ 305.16425 175.5
[M+K]+ 326.09359 167.0
[M+H-H2O]+ 270.12769 149.9
[M+HCOO]- 332.12863 172.4
[M+CH3COO]- 346.14428 199.5
[M+Na-2H]- 308.10510 162.6
[M]+ 287.12988 156.9
[M]- 287.13098 156.9
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