CID 165986848

En300-37374422

Structural Information

Molecular Formula
C14H19BBrNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=CC(=C2C3OCCO3)Br
InChI
InChI=1S/C14H19BBrNO4/c1-13(2)14(3,4)21-15(20-13)9-7-17-8-10(16)11(9)12-18-5-6-19-12/h7-8,12H,5-6H2,1-4H3
InChIKey
XQTYUAAIPVDVPI-UHFFFAOYSA-N
Compound name
3-bromo-4-(1,3-dioxolan-2-yl)-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

355.05905 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.06633 171.4
[M+Na]+ 378.04827 183.1
[M-H]- 354.05177 184.9
[M+NH4]+ 373.09287 189.2
[M+K]+ 394.02221 178.1
[M+H-H2O]+ 338.05631 173.8
[M+HCOO]- 400.05725 186.4
[M+CH3COO]- 414.07290 185.9
[M+Na-2H]- 376.03372 175.7
[M]+ 355.05850 193.7
[M]- 355.05960 193.7
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.