CID 133675633

2226974-26-9

Structural Information

Molecular Formula
C11H15BF2N2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)C(F)F
InChI
InChI=1S/C11H15BF2N2O2/c1-10(2)11(3,4)18-12(17-10)7-5-15-9(8(13)14)16-6-7/h5-6,8H,1-4H3
InChIKey
KISPHVKRZLGIKX-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-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

30
Patents

256.11948 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12676 149.9
[M+Na]+ 279.10870 160.1
[M-H]- 255.11220 153.5
[M+NH4]+ 274.15330 167.7
[M+K]+ 295.08264 160.3
[M+H-H2O]+ 239.11674 142.1
[M+HCOO]- 301.11768 165.9
[M+CH3COO]- 315.13333 194.6
[M+Na-2H]- 277.09415 154.3
[M]+ 256.11893 150.5
[M]- 256.12003 150.5
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