CID 45599561

3-bromo-6,7-dimethyl-4-hydroxyquinoline

Structural Information

Molecular Formula
C11H10BrNO
SMILES
CC1=CC2=C(C=C1C)NC=C(C2=O)Br
InChI
InChI=1S/C11H10BrNO/c1-6-3-8-10(4-7(6)2)13-5-9(12)11(8)14/h3-5H,1-2H3,(H,13,14)
InChIKey
JYCOENAJWAVNKI-UHFFFAOYSA-N
Compound name
3-bromo-6,7-dimethyl-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.99458 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.00186 144.3
[M+Na]+ 273.98380 158.5
[M-H]- 249.98730 149.9
[M+NH4]+ 269.02840 165.1
[M+K]+ 289.95774 145.9
[M+H-H2O]+ 233.99184 144.6
[M+HCOO]- 295.99278 163.3
[M+CH3COO]- 310.00843 190.7
[M+Na-2H]- 271.96925 152.3
[M]+ 250.99403 163.3
[M]- 250.99513 163.3
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.