CID 84703031

1207448-50-7

Structural Information

Molecular Formula
C9H5BrFNO
SMILES
C1=CC2=C(C(=C1)F)C(=CNC2=O)Br
InChI
InChI=1S/C9H5BrFNO/c10-6-4-12-9(13)5-2-1-3-7(11)8(5)6/h1-4H,(H,12,13)
InChIKey
JCBIPKKIGJQGCM-UHFFFAOYSA-N
Compound name
4-bromo-5-fluoro-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 139.4
[M+Na]+ 263.94308 153.6
[M-H]- 239.94658 143.6
[M+NH4]+ 258.98768 160.2
[M+K]+ 279.91702 141.0
[M+H-H2O]+ 223.95112 138.9
[M+HCOO]- 285.95206 158.1
[M+CH3COO]- 299.96771 154.6
[M+Na-2H]- 261.92853 148.4
[M]+ 240.95331 156.3
[M]- 240.95441 156.3
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

patents stripe