CID 72220315

2223049-72-5

Structural Information

Molecular Formula
C11H14BBrClNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)Cl)Br
InChI
InChI=1S/C11H14BBrClNO2/c1-10(2)11(3,4)17-12(16-10)7-5-8(13)9(14)15-6-7/h5-6H,1-4H3
InChIKey
KDYZOTKUMURSEE-UHFFFAOYSA-N
Compound name
3-bromo-2-chloro-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

0
Patents

316.99896 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.00624 154.5
[M+Na]+ 339.98818 169.4
[M-H]- 315.99168 164.7
[M+NH4]+ 335.03278 176.3
[M+K]+ 355.96212 159.7
[M+H-H2O]+ 299.99622 156.6
[M+HCOO]- 361.99716 168.4
[M+CH3COO]- 376.01281 199.7
[M+Na-2H]- 337.97363 161.6
[M]+ 316.99841 178.3
[M]- 316.99951 178.3
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

No patent data available for this compound.