CID 12060163

458532-82-6

Structural Information

Molecular Formula
C11H15BBrNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)Br
InChI
InChI=1S/C11H15BBrNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8/h5-7H,1-4H3
InChIKey
NQVRUHXWNFMWQB-UHFFFAOYSA-N
Compound name
2-bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

179
Patents

283.03793 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.04521 150.3
[M+Na]+ 306.02715 163.4
[M-H]- 282.03065 160.3
[M+NH4]+ 301.07175 172.2
[M+K]+ 322.00109 155.7
[M+H-H2O]+ 266.03519 151.7
[M+HCOO]- 328.03613 168.6
[M+CH3COO]- 342.05178 195.2
[M+Na-2H]- 304.01260 158.2
[M]+ 283.03738 172.0
[M]- 283.03848 172.0
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