CID 12158596

269410-03-9

Structural Information

Molecular Formula
C19H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H21BO3/c1-18(2)19(3,4)23-20(22-18)16-12-10-15(11-13-16)17(21)14-8-6-5-7-9-14/h5-13H,1-4H3
InChIKey
AKQXNDKEDAWVMZ-UHFFFAOYSA-N
Compound name
phenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

308.1584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.16568 169.5
[M+Na]+ 331.14762 177.9
[M-H]- 307.15112 181.2
[M+NH4]+ 326.19222 187.5
[M+K]+ 347.12156 176.9
[M+H-H2O]+ 291.15566 163.1
[M+HCOO]- 353.15660 189.4
[M+CH3COO]- 367.17225 204.9
[M+Na-2H]- 329.13307 173.1
[M]+ 308.15785 172.2
[M]- 308.15895 172.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe