CID 71238325

1333222-12-0

Structural Information

Molecular Formula
C12H16BF2NO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)OC(F)F
InChI
InChI=1S/C12H16BF2NO3/c1-11(2)12(3,4)19-13(18-11)8-5-6-9(16-7-8)17-10(14)15/h5-7,10H,1-4H3
InChIKey
IUBRIOQSSWUJOP-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

271.11914 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12642 161.0
[M+Na]+ 294.10836 171.1
[M+NH4]+ 289.15296 169.4
[M+K]+ 310.08230 165.0
[M-H]- 270.11186 162.5
[M+Na-2H]- 292.09381 166.6
[M]+ 271.11859 163.0
[M]- 271.11969 163.0
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