CID 45599567

1204812-11-2

Structural Information

Molecular Formula
C9H4BrF2NO
SMILES
C1=C(C=C(C2=C1NC=C(C2=O)Br)F)F
InChI
InChI=1S/C9H4BrF2NO/c10-5-3-13-7-2-4(11)1-6(12)8(7)9(5)14/h1-3H,(H,13,14)
InChIKey
OZPIIUCCCJBNJE-UHFFFAOYSA-N
Compound name
3-bromo-5,7-difluoro-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.94443 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.95171 143.2
[M+Na]+ 281.93365 158.3
[M-H]- 257.93715 146.4
[M+NH4]+ 276.97825 163.5
[M+K]+ 297.90759 145.2
[M+H-H2O]+ 241.94169 141.9
[M+HCOO]- 303.94263 160.8
[M+CH3COO]- 317.95828 190.1
[M+Na-2H]- 279.91910 150.8
[M]+ 258.94388 159.4
[M]- 258.94498 159.4
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.