CID 16686135

Gallium 8-hydroxyquinolinate

Structural Information

Molecular Formula

C₂₇H₁₈GaN₃O₃

SMILES

C1=CC2=C(C(=C1)O[Ga](OC3=CC=CC4=C3N=CC=C4)OC5=CC=CC6=C5N=CC=C6)N=CC=C2

InChI

InChI=1S/3C9H7NO.Ga/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h3*1-6,11H;/q;;;+3/p-3

InChIKey

KWQNQSDKCINQQP-UHFFFAOYSA-K

Compound name

tri(quinolin-8-yloxy)gallane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 19
References: 7326
Patents: 501.0604 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]+	502.06768	215.4
[M+Na]+	524.04962	222.1
[M-H]-	500.05312	222.1
[M+NH4]+	519.09422	220.4
[M+K]+	540.02356	214.3
[M+H-H2O]+	484.05766	199.4
[M+HCOO]-	546.05860	229.9
[M+CH3COO]-	560.07425	221.7
[M+Na-2H]-	522.03507	223.6
[M]+	501.05985	218.0
[M]-	501.06095	218.0

Literature stripe

literature stripe

Patent stripe

patents stripe