CID 71306600

4'-(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=C(C=C2)C3=CC=C(C=C3)C=O
InChI
InChI=1S/C19H21BO3/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/h5-13H,1-4H3
InChIKey
AURICVYXHOKAHM-UHFFFAOYSA-N
Compound name
4-[4-(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

11
Patents

308.1584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.16568 168.3
[M+Na]+ 331.14762 178.0
[M-H]- 307.15112 180.4
[M+NH4]+ 326.19222 186.7
[M+K]+ 347.12156 176.5
[M+H-H2O]+ 291.15566 162.0
[M+HCOO]- 353.15660 189.2
[M+CH3COO]- 367.17225 205.2
[M+Na-2H]- 329.13307 172.6
[M]+ 308.15785 172.1
[M]- 308.15895 172.1
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