CID 71463827

1352741-13-9

Structural Information

Molecular Formula
C12H15BF3NO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C12H15BF3NO3/c1-10(2)11(3,4)20-13(19-10)8-5-6-9(17-7-8)18-12(14,15)16/h5-7H,1-4H3
InChIKey
QMCDWSJOWPTZAE-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

289.1097 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11698 166.7
[M+Na]+ 312.09892 175.4
[M+NH4]+ 307.14352 173.7
[M+K]+ 328.07286 169.8
[M-H]- 288.10242 166.0
[M+Na-2H]- 310.08437 171.3
[M]+ 289.10915 167.8
[M]- 289.11025 167.8
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