CID 53398540

1264130-85-9

Structural Information

Molecular Formula
C11H14BBrFNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)Br)F
InChI
InChI=1S/C11H14BBrFNO2/c1-10(2)11(3,4)17-12(16-10)7-5-8(14)9(13)15-6-7/h5-6H,1-4H3
InChIKey
ZXAMHUBHLXMIOF-UHFFFAOYSA-N
Compound name
2-bromo-3-fluoro-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

301.0285 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.03578 153.5
[M+Na]+ 324.01772 167.6
[M-H]- 300.02122 162.5
[M+NH4]+ 319.06232 175.0
[M+K]+ 339.99166 159.3
[M+H-H2O]+ 284.02576 154.3
[M+HCOO]- 346.02670 170.8
[M+CH3COO]- 360.04235 198.8
[M+Na-2H]- 322.00317 160.2
[M]+ 301.02795 174.6
[M]- 301.02905 174.6
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.