CID 83255

4-bromo-2-methylquinolin-3-ol

Structural Information

Molecular Formula
C10H8BrNO
SMILES
CC1=NC2=CC=CC=C2C(=C1O)Br
InChI
InChI=1S/C10H8BrNO/c1-6-10(13)9(11)7-4-2-3-5-8(7)12-6/h2-5,13H,1H3
InChIKey
KJLMRQHMWOMEST-UHFFFAOYSA-N
Compound name
4-bromo-2-methylquinolin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

236.97893 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.986206 141.2
[M+Na]+ 259.968148 154.7
[M-H]- 235.971654 146.6
[M+NH4]+ 255.012753 162.3
[M+K]+ 275.942088 142.9
[M+H-H2O]+ 219.976190 141.4
[M+HCOO]- 281.977131 160.4
[M+CH3COO]- 295.992781 156.5
[M+Na-2H]- 257.953596 150.4
[M]+ 236.97838142 160.1
[M]- 236.97947858 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