CID 49758024

5-bromo-7-fluoroisoindolin-1-one

Structural Information

Molecular Formula
C8H5BrFNO
SMILES
C1C2=C(C(=CC(=C2)Br)F)C(=O)N1
InChI
InChI=1S/C8H5BrFNO/c9-5-1-4-3-11-8(12)7(4)6(10)2-5/h1-2H,3H2,(H,11,12)
InChIKey
ORSGCYDNFXZYKN-UHFFFAOYSA-N
Compound name
5-bromo-7-fluoro-2,3-dihydroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

228.95386 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.96114 145.8
[M+Na]+ 251.94308 148.3
[M+NH4]+ 246.98768 150.2
[M+K]+ 267.91702 149.3
[M-H]- 227.94658 144.2
[M+Na-2H]- 249.92853 146.6
[M]+ 228.95331 144.3
[M]- 228.95441 144.3
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