CID 16684579

8-((dihydroxybismuthino)oxy)-6-(1-methylethyl)quinoline

Structural Information

Molecular Formula
C12H12BiNO
SMILES
CC(C)C1=CC(=C2C(=C1)C=CC=N2)O[Bi]
InChI
InChI=1S/C12H13NO.Bi/c1-8(2)10-6-9-4-3-5-13-12(9)11(14)7-10;/h3-8,14H,1-2H3;/q;+1/p-1
InChIKey
QHVXMXYPMMKGHQ-UHFFFAOYSA-M
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.0723 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.07958 182.5
[M+Na]+ 418.06152 189.6
[M-H]- 394.06502 184.3
[M+NH4]+ 413.10612 199.6
[M+K]+ 434.03546 185.7
[M+H-H2O]+ 378.06956 173.4
[M+HCOO]- 440.07050 201.3
[M+CH3COO]- 454.08615 196.3
[M+Na-2H]- 416.04697 185.1
[M]+ 395.07175 184.6
[M]- 395.07285 184.6
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.