CID 71306578

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde oxime

Structural Information

Molecular Formula

C₁₃H₁₈BNO₃

SMILES

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

InChI

InChI=1S/C13H18BNO3/c1-12(2)13(3,4)18-14(17-12)11-7-5-10(6-8-11)9-15-16/h5-9,16H,1-4H3/b15-9+

InChIKey

CSKICNHBCQCNIQ-OQLLNIDSSA-N

Compound name

(NE)-N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 247.13797 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]+	248.145246	151.3
[M+Na]+	270.127188	160.3
[M-H]-	246.130694	160.1
[M+NH4]+	265.171793	172.1
[M+K]+	286.101128	160.4
[M+H-H2O]+	230.135230	146.7
[M+HCOO]-	292.136171	173.8
[M+CH3COO]-	306.151821	194.5
[M+Na-2H]-	268.112636	158.2
[M]+	247.13742142	154.5
[M]-	247.13851858	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.