CID 23157866

865186-94-3

Structural Information

Molecular Formula
C11H15BClNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)Cl
InChI
InChI=1S/C11H15BClNO2/c1-10(2)11(3,4)16-12(15-10)8-5-9(13)7-14-6-8/h5-7H,1-4H3
InChIKey
WCKBNAJTZUVHPD-UHFFFAOYSA-N
Compound name
3-chloro-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

94
Patents

239.08844 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.09572 145.9
[M+Na]+ 262.07766 156.8
[M-H]- 238.08116 153.3
[M+NH4]+ 257.12226 166.8
[M+K]+ 278.05160 155.7
[M+H-H2O]+ 222.08570 141.2
[M+HCOO]- 284.08664 161.6
[M+CH3COO]- 298.10229 189.3
[M+Na-2H]- 260.06311 152.3
[M]+ 239.08789 150.5
[M]- 239.08899 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe