CID 11822881

406482-72-2

Structural Information

Molecular Formula
C19H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C19H20BNO2/c1-18(2)19(3,4)23-20(22-18)17-11-9-16(10-12-17)15-7-5-14(13-21)6-8-15/h5-12H,1-4H3
InChIKey
UQGDIRDLIFFOHN-UHFFFAOYSA-N
Compound name
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

305.15872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.16600 165.1
[M+Na]+ 328.14794 179.4
[M+NH4]+ 323.19254 172.8
[M+K]+ 344.12188 167.6
[M-H]- 304.15144 165.8
[M+Na-2H]- 326.13339 172.9
[M]+ 305.15817 167.1
[M]- 305.15927 167.1
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