CID 155641961

3,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

Structural Information

Molecular Formula
C14H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2O)C)C
InChI
InChI=1S/C14H21BO3/c1-9-7-10(2)12(11(16)8-9)15-17-13(3,4)14(5,6)18-15/h7-8,16H,1-6H3
InChIKey
CWJVLRVSPOFJRN-UHFFFAOYSA-N
Compound name
3,5-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

248.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.165646 150.2
[M+Na]+ 271.147588 160.7
[M-H]- 247.151094 158.3
[M+NH4]+ 266.192193 171.3
[M+K]+ 287.121528 160.4
[M+H-H2O]+ 231.155630 146.8
[M+HCOO]- 293.156571 169.6
[M+CH3COO]- 307.172221 194.0
[M+Na-2H]- 269.133036 154.7
[M]+ 248.15782142 154.2
[M]- 248.15891858 154.2
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