CID 59619658

1257554-65-6

Structural Information

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

54
Patents

271.11914 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12642 153.4
[M+Na]+ 294.10836 163.1
[M-H]- 270.11186 158.2
[M+NH4]+ 289.15296 171.9
[M+K]+ 310.08230 163.7
[M+H-H2O]+ 254.11640 146.4
[M+HCOO]- 316.11734 170.6
[M+CH3COO]- 330.13299 196.9
[M+Na-2H]- 292.09381 157.7
[M]+ 271.11859 155.3
[M]- 271.11969 155.3
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