CID 165750960

En300-37454449

Structural Information

Molecular Formula
C12H17BBrNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2Br)OC
InChI
InChI=1S/C12H17BBrNO3/c1-11(2)12(3,4)18-13(17-11)8-7-15-10(16-5)6-9(8)14/h6-7H,1-5H3
InChIKey
RTTQZEHEZWKCLT-UHFFFAOYSA-N
Compound name
4-bromo-2-methoxy-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

313.0485 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.05578 156.3
[M+Na]+ 336.03772 169.7
[M-H]- 312.04122 166.4
[M+NH4]+ 331.08232 177.3
[M+K]+ 352.01166 162.2
[M+H-H2O]+ 296.04576 157.7
[M+HCOO]- 358.04670 174.4
[M+CH3COO]- 372.06235 201.0
[M+Na-2H]- 334.02317 163.4
[M]+ 313.04795 180.1
[M]- 313.04905 180.1
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.