CID 65592

Tilbroquinol

Structural Information

Molecular Formula
C10H8BrNO
SMILES
CC1=CC(=C(C2=C1C=CC=N2)O)Br
InChI
InChI=1S/C10H8BrNO/c1-6-5-8(11)10(13)9-7(6)3-2-4-12-9/h2-5,13H,1H3
InChIKey
JMOVFFLYGIQXMM-UHFFFAOYSA-N
Compound name
7-bromo-5-methylquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

240
Patents

236.97893 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.98621 141.2
[M+Na]+ 259.96815 154.7
[M-H]- 235.97165 146.6
[M+NH4]+ 255.01275 162.3
[M+K]+ 275.94209 142.9
[M+H-H2O]+ 219.97619 141.4
[M+HCOO]- 281.97713 160.4
[M+CH3COO]- 295.99278 156.5
[M+Na-2H]- 257.95360 150.4
[M]+ 236.97838 160.1
[M]- 236.97948 160.1
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