CID 45599533

3-bromo-4-hydroxy-8-methoxyquinoline

Structural Information

Molecular Formula
C10H8BrNO2
SMILES
COC1=CC=CC2=C1NC=C(C2=O)Br
InChI
InChI=1S/C10H8BrNO2/c1-14-8-4-2-3-6-9(8)12-5-7(11)10(6)13/h2-5H,1H3,(H,12,13)
InChIKey
JJQYYRCPHOZXKS-UHFFFAOYSA-N
Compound name
3-bromo-8-methoxy-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.97385 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.98113 143.4
[M+Na]+ 275.96307 148.7
[M+NH4]+ 271.00767 148.3
[M+K]+ 291.93701 148.1
[M-H]- 251.96657 143.9
[M+Na-2H]- 273.94852 147.3
[M]+ 252.97330 143.2
[M]- 252.97440 143.2
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.