CID 57416227

1009033-83-3

Structural Information

Molecular Formula
C17H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3=CC=NC=C3
InChI
InChI=1S/C17H20BNO2/c1-16(2)17(3,4)21-18(20-16)15-7-5-6-14(12-15)13-8-10-19-11-9-13/h5-12H,1-4H3
InChIKey
ZTGKWVBDXOXURT-UHFFFAOYSA-N
Compound name
4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

281.15872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.165996 162.1
[M+Na]+ 304.147938 171.5
[M-H]- 280.151444 172.6
[M+NH4]+ 299.192543 180.1
[M+K]+ 320.121878 170.3
[M+H-H2O]+ 264.155980 154.7
[M+HCOO]- 326.156921 182.0
[M+CH3COO]- 340.172571 175.4
[M+Na-2H]- 302.133386 167.6
[M]+ 281.15817142 164.5
[M]- 281.15926858 164.5
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