CID 843748

8-bromo-2-methyl-4-quinolinol

Structural Information

Molecular Formula
C10H8BrNO
SMILES
CC1=CC(=O)C2=C(N1)C(=CC=C2)Br
InChI
InChI=1S/C10H8BrNO/c1-6-5-9(13)7-3-2-4-8(11)10(7)12-6/h2-5H,1H3,(H,12,13)
InChIKey
VZEQVJZHDYRCBZ-UHFFFAOYSA-N
Compound name
8-bromo-2-methyl-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

35
Patents

236.97893 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.986206 140.0
[M+Na]+ 259.968148 153.8
[M-H]- 235.971654 145.4
[M+NH4]+ 255.012753 161.1
[M+K]+ 275.942088 141.4
[M+H-H2O]+ 219.976190 140.3
[M+HCOO]- 281.977131 159.4
[M+CH3COO]- 295.992781 155.4
[M+Na-2H]- 257.953596 149.2
[M]+ 236.97838142 158.3
[M]- 236.97947858 158.3
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