CID 57416704

2-chloro-5-[(e)-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine

Structural Information

Molecular Formula
C13H17BClNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CN=C(C=C2)Cl
InChI
InChI=1S/C13H17BClNO2/c1-12(2)13(3,4)18-14(17-12)8-7-10-5-6-11(15)16-9-10/h5-9H,1-4H3/b8-7+
InChIKey
AOUPBNARFNRUGS-BQYQJAHWSA-N
Compound name
2-chloro-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1041 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11138 155.5
[M+Na]+ 288.09332 169.4
[M+NH4]+ 283.13792 166.4
[M+K]+ 304.06726 160.9
[M-H]- 264.09682 160.9
[M+Na-2H]- 286.07877 163.8
[M]+ 265.10355 159.7
[M]- 265.10465 159.7
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

No patent data available for this compound.