CID 45599543

1203579-53-6

Structural Information

Molecular Formula
C9H5Br2NO
SMILES
C1=CC2=C(C=C1Br)NC=C(C2=O)Br
InChI
InChI=1S/C9H5Br2NO/c10-5-1-2-6-8(3-5)12-4-7(11)9(6)13/h1-4H,(H,12,13)
InChIKey
FCRKTWYWSKVPGU-UHFFFAOYSA-N
Compound name
3,7-dibromo-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.87378 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.881056 136.7
[M+Na]+ 323.862998 149.0
[M-H]- 299.866504 142.7
[M+NH4]+ 318.907603 155.5
[M+K]+ 339.836938 133.2
[M+H-H2O]+ 283.871040 145.4
[M+HCOO]- 345.871981 151.5
[M+CH3COO]- 359.887631 151.2
[M+Na-2H]- 321.848446 145.9
[M]+ 300.87323142 170.3
[M]- 300.87432858 170.3
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.