CID 72221226

2377610-23-4

Structural Information

Molecular Formula
C13H17BClNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)C(=O)OC)Cl
InChI
InChI=1S/C13H17BClNO4/c1-12(2)13(3,4)20-14(19-12)8-6-9(15)10(16-7-8)11(17)18-5/h6-7H,1-5H3
InChIKey
FEKXJYRZMKWVDD-UHFFFAOYSA-N
Compound name
methyl 3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0939 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10118 158.3
[M+Na]+ 320.08312 169.2
[M-H]- 296.08662 166.1
[M+NH4]+ 315.12772 177.0
[M+K]+ 336.05706 168.7
[M+H-H2O]+ 280.09116 154.1
[M+HCOO]- 342.09210 173.1
[M+CH3COO]- 356.10775 200.2
[M+Na-2H]- 318.06857 162.6
[M]+ 297.09335 165.8
[M]- 297.09445 165.8
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.