CID 84703032

1207448-47-2

Structural Information

Molecular Formula
C9H5BrFNO
SMILES
C1=CC2=C(C=C1F)C(=O)NC=C2Br
InChI
InChI=1S/C9H5BrFNO/c10-8-4-12-9(13)7-3-5(11)1-2-6(7)8/h1-4H,(H,12,13)
InChIKey
AEKGMZZJCXAEJY-UHFFFAOYSA-N
Compound name
4-bromo-7-fluoro-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

240.95386 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.96114 141.7
[M+Na]+ 263.94308 146.7
[M+NH4]+ 258.98768 146.5
[M+K]+ 279.91702 145.7
[M-H]- 239.94658 141.3
[M+Na-2H]- 261.92853 145.3
[M]+ 240.95331 141.1
[M]- 240.95441 141.1
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

patents stripe