CID 130064543

2825011-54-7

Structural Information

Molecular Formula
C8H7BrFN
SMILES
C1C2=C(CN1)C(=C(C=C2)F)Br
InChI
InChI=1S/C8H7BrFN/c9-8-6-4-11-3-5(6)1-2-7(8)10/h1-2,11H,3-4H2
InChIKey
DCLUVBKYIIMQJB-UHFFFAOYSA-N
Compound name
4-bromo-5-fluoro-2,3-dihydro-1H-isoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.9746 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.98188 139.6
[M+Na]+ 237.96382 152.5
[M-H]- 213.96732 143.3
[M+NH4]+ 233.00842 163.0
[M+K]+ 253.93776 140.5
[M+H-H2O]+ 197.97186 139.5
[M+HCOO]- 259.97280 157.7
[M+CH3COO]- 273.98845 154.5
[M+Na-2H]- 235.94927 146.2
[M]+ 214.97405 154.4
[M]- 214.97515 154.4
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.