CID 72219397

4-(propan-2-yloxy)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

Structural Information

Molecular Formula
C15H23BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)O)OC(C)C
InChI
InChI=1S/C15H23BO4/c1-10(2)18-13-8-7-11(17)9-12(13)16-19-14(3,4)15(5,6)20-16/h7-10,17H,1-6H3
InChIKey
HWOONGPCUTTWFP-UHFFFAOYSA-N
Compound name
4-propan-2-yloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.16895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.17623 159.4
[M+Na]+ 301.15817 168.1
[M-H]- 277.16167 167.0
[M+NH4]+ 296.20277 178.8
[M+K]+ 317.13211 168.8
[M+H-H2O]+ 261.16621 155.6
[M+HCOO]- 323.16715 177.7
[M+CH3COO]- 337.18280 198.8
[M+Na-2H]- 299.14362 162.9
[M]+ 278.16840 164.3
[M]- 278.16950 164.3
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.