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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.06768 217.4
[M+Na]+ 524.04962 238.1
[M+NH4]+ 519.09422 225.8
[M+K]+ 540.02356 225.9
[M-H]- 500.05312 225.5
[M+Na-2H]- 522.03507 229.2
[M]+ 501.05985 223.2
[M]- 501.06095 223.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe