CID 53482118

908350-80-1

Structural Information

Molecular Formula
C17H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=CC=CC=N3
InChI
InChI=1S/C17H20BNO2/c1-16(2)17(3,4)21-18(20-16)14-10-8-13(9-11-14)15-7-5-6-12-19-15/h5-12H,1-4H3
InChIKey
CMGIUUPUDMXXLT-UHFFFAOYSA-N
Compound name
2-[4-(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

119
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

literature stripe

Patent stripe

patents stripe