CID 16218136

1072951-76-8

Structural Information

Molecular Formula
C18H23BO3
SMILES
B(C1=CC=CC=C1COC2=C(C=C(C=C2)C(C)(C)C)C)(O)O
InChI
InChI=1S/C18H23BO3/c1-13-11-15(18(2,3)4)9-10-17(13)22-12-14-7-5-6-8-16(14)19(20)21/h5-11,20-21H,12H2,1-4H3
InChIKey
DUXBNUDEXAKRNL-UHFFFAOYSA-N
Compound name
[2-[(4-tert-butyl-2-methylphenoxy)methyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

298.174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.18128 170.7
[M+Na]+ 321.16322 177.1
[M-H]- 297.16672 175.0
[M+NH4]+ 316.20782 185.0
[M+K]+ 337.13716 173.4
[M+H-H2O]+ 281.17126 163.9
[M+HCOO]- 343.17220 188.5
[M+CH3COO]- 357.18785 201.6
[M+Na-2H]- 319.14867 172.9
[M]+ 298.17345 172.2
[M]- 298.17455 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

No literature data available for this compound.

Patent stripe

patents stripe