CID 16683761

102-98-7

Structural Information

Molecular Formula

C₆H₇BHgO₃

SMILES

B(O)(O)O[Hg]C1=CC=CC=C1

InChI

InChI=1S/C6H5.BH2O3.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;2-3H;/q;-1;+1

InChIKey

VUXSPDNLYQTOSY-UHFFFAOYSA-N

Compound name

boronooxy(phenyl)mercury

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 49
References: 5289
Patents: 340.01947 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]+	341.02675	158.4
[M+Na]+	363.00869	168.9
[M+NH4]+	358.05329	165.5
[M+K]+	378.98263	162.6
[M-H]-	339.01219	158.6
[M+Na-2H]-	360.99414	162.4
[M]+	340.01892	159.7
[M]-	340.02002	159.7

Literature stripe

literature stripe

Patent stripe

patents stripe