CID 133672628

3-[(e)-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenol

Structural Information

Molecular Formula
C14H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC(=CC=C2)O
InChI
InChI=1S/C14H19BO3/c1-13(2)14(3,4)18-15(17-13)9-8-11-6-5-7-12(16)10-11/h5-10,16H,1-4H3/b9-8+
InChIKey
ADAOHHDEEUWVKF-CMDGGOBGSA-N
Compound name
3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15001 151.9
[M+Na]+ 269.13195 160.9
[M-H]- 245.13545 159.3
[M+NH4]+ 264.17655 172.4
[M+K]+ 285.10589 160.0
[M+H-H2O]+ 229.13999 147.8
[M+HCOO]- 291.14093 171.5
[M+CH3COO]- 305.15658 190.0
[M+Na-2H]- 267.11740 157.4
[M]+ 246.14218 154.2
[M]- 246.14328 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

No patent data available for this compound.