CID 71306603

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

Structural Information

Molecular Formula
C19H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3=CC=C(C=C3)C=O
InChI
InChI=1S/C19H21BO3/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/h5-13H,1-4H3
InChIKey
BCCMTHLJOIDFNA-UHFFFAOYSA-N
Compound name
4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.16568 168.6
[M+Na]+ 331.14762 183.6
[M+NH4]+ 326.19222 179.8
[M+K]+ 347.12156 174.6
[M-H]- 307.15112 177.1
[M+Na-2H]- 329.13307 179.2
[M]+ 308.15785 173.7
[M]- 308.15895 173.7
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.