CID 58622600

870244-08-9

Structural Information

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

14
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

No literature data available for this compound.

Patent stripe

patents stripe