CID 44755194

1073354-24-1

Structural Information

Molecular Formula
C10H13BCl2N2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2Cl)Cl
InChI
InChI=1S/C10H13BCl2N2O2/c1-9(2)10(3,4)17-11(16-9)6-5-14-8(13)15-7(6)12/h5H,1-4H3
InChIKey
BILQUEVRDMMIGE-UHFFFAOYSA-N
Compound name
2,4-dichloro-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

10
Patents

274.0447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.05198 150.5
[M+Na]+ 297.03392 162.6
[M-H]- 273.03742 155.9
[M+NH4]+ 292.07852 169.0
[M+K]+ 313.00786 160.4
[M+H-H2O]+ 257.04196 145.3
[M+HCOO]- 319.04290 159.9
[M+CH3COO]- 333.05855 163.8
[M+Na-2H]- 295.01937 155.6
[M]+ 274.04415 156.2
[M]- 274.04525 156.2
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