CID 3570229

214360-48-2

Structural Information

Molecular Formula
C13H16BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C#N
InChI
InChI=1S/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-8-6-5-7-10(11)9-15/h5-8H,1-4H3
InChIKey
SKQNWSBNAIOCOC-UHFFFAOYSA-N
Compound name
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

400
Patents

229.12741 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13469 144.2
[M+Na]+ 252.11663 156.7
[M+NH4]+ 247.16123 151.8
[M+K]+ 268.09057 146.5
[M-H]- 228.12013 142.5
[M+Na-2H]- 250.10208 150.3
[M]+ 229.12686 145.1
[M]- 229.12796 145.1
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