CID 90165587

1427454-77-0

Structural Information

Molecular Formula
C8H5BrFNO
SMILES
C1C2=CC(=C(C=C2C(=O)N1)Br)F
InChI
InChI=1S/C8H5BrFNO/c9-6-2-5-4(1-7(6)10)3-11-8(5)12/h1-2H,3H2,(H,11,12)
InChIKey
ARZFLJFYEDQZMB-UHFFFAOYSA-N
Compound name
6-bromo-5-fluoro-2,3-dihydroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

228.95386 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.961136 140.6
[M+Na]+ 251.943078 154.4
[M-H]- 227.946584 144.7
[M+NH4]+ 246.987683 163.6
[M+K]+ 267.917018 142.3
[M+H-H2O]+ 211.951120 140.6
[M+HCOO]- 273.952061 159.0
[M+CH3COO]- 287.967711 183.8
[M+Na-2H]- 249.928526 146.6
[M]+ 228.95331142 156.4
[M]- 228.95440858 156.4
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

patents stripe