CID 131494774

3'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,1'-biphenyl]-3-carbonitrile

Structural Information

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

7
Patents

305.15872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.16600 169.8
[M+Na]+ 328.14794 182.6
[M-H]- 304.15144 179.5
[M+NH4]+ 323.19254 186.4
[M+K]+ 344.12188 176.7
[M+H-H2O]+ 288.15598 156.7
[M+HCOO]- 350.15692 187.0
[M+CH3COO]- 364.17257 181.5
[M+Na-2H]- 326.13339 173.4
[M]+ 305.15817 167.4
[M]- 305.15927 167.4
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