CID 77058926

1448894-65-2

Structural Information

Molecular Formula
C20H22BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C#N)OCC3=CC=CC=C3
InChI
InChI=1S/C20H22BNO3/c1-19(2)20(3,4)25-21(24-19)17-11-10-16(13-22)18(12-17)23-14-15-8-6-5-7-9-15/h5-12H,14H2,1-4H3
InChIKey
YDEUNLVOYPZMFK-UHFFFAOYSA-N
Compound name
2-phenylmethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17656 176.3
[M+Na]+ 358.15850 188.5
[M-H]- 334.16200 185.8
[M+NH4]+ 353.20310 191.7
[M+K]+ 374.13244 183.0
[M+H-H2O]+ 318.16654 162.9
[M+HCOO]- 380.16748 193.3
[M+CH3COO]- 394.18313 219.2
[M+Na-2H]- 356.14395 179.6
[M]+ 335.16873 175.4
[M]- 335.16983 175.4
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

No patent data available for this compound.