CID 44755160

1073371-78-4

Structural Information

Molecular Formula
C11H14BCl2NO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H14BCl2NO2/c1-10(2)11(3,4)17-12(16-10)7-5-6-8(13)15-9(7)14/h5-6H,1-4H3
InChIKey
AOLXLWZJOQBPQX-UHFFFAOYSA-N
Compound name
2,6-dichloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

273.04947 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.05675 151.3
[M+Na]+ 296.03869 163.2
[M-H]- 272.04219 158.1
[M+NH4]+ 291.08329 171.3
[M+K]+ 312.01263 160.6
[M+H-H2O]+ 256.04673 147.3
[M+HCOO]- 318.04767 161.8
[M+CH3COO]- 332.06332 195.0
[M+Na-2H]- 294.02414 156.2
[M]+ 273.04892 157.1
[M]- 273.05002 157.1
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

patents stripe