CID 68291265

2-(difluoromethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

Structural Information

Molecular Formula
C11H15BF2N2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)OC(F)F
InChI
InChI=1S/C11H15BF2N2O3/c1-10(2)11(3,4)19-12(18-10)7-5-15-9(16-6-7)17-8(13)14/h5-6,8H,1-4H3
InChIKey
WRFUDVCMNZMFBO-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

272.11438 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12166 152.8
[M+Na]+ 295.10360 162.9
[M-H]- 271.10710 156.4
[M+NH4]+ 290.14820 169.9
[M+K]+ 311.07754 163.7
[M+H-H2O]+ 255.11164 144.9
[M+HCOO]- 317.11258 169.1
[M+CH3COO]- 331.12823 196.7
[M+Na-2H]- 293.08905 157.4
[M]+ 272.11383 154.9
[M]- 272.11493 154.9
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