CID 112703927

2-(4-methoxy-2,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2C)OC)C
InChI
InChI=1S/C15H23BO3/c1-10-9-13(17-7)11(2)8-12(10)16-18-14(3,4)15(5,6)19-16/h8-9H,1-7H3
InChIKey
GFKDUWUWCZSILU-UHFFFAOYSA-N
Compound name
2-(4-methoxy-2,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

262.174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.18128 153.4
[M+Na]+ 285.16322 163.9
[M-H]- 261.16672 162.8
[M+NH4]+ 280.20782 174.7
[M+K]+ 301.13716 164.4
[M+H-H2O]+ 245.17126 149.6
[M+HCOO]- 307.17220 174.1
[M+CH3COO]- 321.18785 199.4
[M+Na-2H]- 283.14867 157.9
[M]+ 262.17345 159.6
[M]- 262.17455 159.6
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