CID 68291265

1400581-04-5

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

19
Patents

272.11438 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.121656 152.8
[M+Na]+ 295.103598 162.9
[M-H]- 271.107104 156.4
[M+NH4]+ 290.148203 169.9
[M+K]+ 311.077538 163.7
[M+H-H2O]+ 255.111640 144.9
[M+HCOO]- 317.112581 169.1
[M+CH3COO]- 331.128231 196.7
[M+Na-2H]- 293.089046 157.4
[M]+ 272.11383142 154.9
[M]- 272.11492858 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