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

2636
Patents

501.0604 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

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

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.