CID 16218290

2-nitropyridine-5-boronic acid, pinacol ester

Structural Information

Molecular Formula
C11H15BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H15BN2O4/c1-10(2)11(3,4)18-12(17-10)8-5-6-9(13-7-8)14(15)16/h5-7H,1-4H3
InChIKey
KEOFPCPNACMWHS-UHFFFAOYSA-N
Compound name
2-nitro-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

121
Patents

250.11249 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11977 149.6
[M+Na]+ 273.10171 158.1
[M-H]- 249.10521 157.1
[M+NH4]+ 268.14631 168.0
[M+K]+ 289.07565 155.0
[M+H-H2O]+ 233.10975 148.9
[M+HCOO]- 295.11069 171.0
[M+CH3COO]- 309.12634 187.2
[M+Na-2H]- 271.08716 158.7
[M]+ 250.11194 151.2
[M]- 250.11304 151.2
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