CID 16683903

Ga-por

Structural Information

Molecular Formula

C₂₀H₁₂GaN₄

SMILES

C1=CC2=NC1=CC3=CC=C4N3[Ga]N5C(=C2)C=CC5=CC6=NC(=C4)C=C6

InChI

InChI=1S/C20H12N4.Ga/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;/h1-12H;/q-2;+2

InChIKey

QBSBWXVGQUXZEP-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 377.03177 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]+	378.03905	162.4
[M+Na]+	400.02099	174.0
[M-H]-	376.02449	160.4
[M+NH4]+	395.06559	179.7
[M+K]+	415.99493	171.9
[M+H-H2O]+	360.02903	161.0
[M+HCOO]-	422.02997	180.6
[M+CH3COO]-	436.04562	173.0
[M+Na-2H]-	398.00644	165.5
[M]+	377.03122	169.7
[M]-	377.03232	169.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.