CID 57764587

933986-82-4

Structural Information

Molecular Formula

C₁₄H₁₉BO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC=C(C=C2)O

InChI

InChI=1S/C14H19BO3/c1-13(2)14(3,4)18-15(17-13)10-9-11-5-7-12(16)8-6-11/h5-10,16H,1-4H3/b10-9+

InChIKey

DMDJHWXECJJTCD-MDZDMXLPSA-N

Compound name

4-[(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: 7
Patents: 246.14273 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe