CID 52915461

3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine

Structural Information

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

115
Patents

281.15872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16600 162.1
[M+Na]+ 304.14794 171.5
[M-H]- 280.15144 172.6
[M+NH4]+ 299.19254 180.1
[M+K]+ 320.12188 170.3
[M+H-H2O]+ 264.15598 154.7
[M+HCOO]- 326.15692 182.0
[M+CH3COO]- 340.17257 175.4
[M+Na-2H]- 302.13339 167.6
[M]+ 281.15817 164.5
[M]- 281.15927 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