CID 53398537

1268467-17-9

Structural Information

Molecular Formula
C13H17BF3NO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)OCC(F)(F)F
InChI
InChI=1S/C13H17BF3NO3/c1-11(2)12(3,4)21-14(20-11)9-5-6-10(18-7-9)19-8-13(15,16)17/h5-7H,8H2,1-4H3
InChIKey
LNXACWWOZVRYCM-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

303.12537 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.13265 160.5
[M+Na]+ 326.11459 170.5
[M-H]- 302.11809 164.0
[M+NH4]+ 321.15919 177.9
[M+K]+ 342.08853 170.5
[M+H-H2O]+ 286.12263 152.9
[M+HCOO]- 348.12357 175.7
[M+CH3COO]- 362.13922 201.6
[M+Na-2H]- 324.10004 165.9
[M]+ 303.12482 161.6
[M]- 303.12592 161.6
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