CID 57634199

944805-66-7

Structural Information

Molecular Formula
C8H5BrFNO
SMILES
C1C2=CC(=C(C=C2NC1=O)F)Br
InChI
InChI=1S/C8H5BrFNO/c9-5-1-4-2-8(12)11-7(4)3-6(5)10/h1,3H,2H2,(H,11,12)
InChIKey
UVQWHJXRXKNXGK-UHFFFAOYSA-N
Compound name
5-bromo-6-fluoro-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
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 140.6
[M+Na]+ 251.94308 154.4
[M-H]- 227.94658 144.7
[M+NH4]+ 246.98768 163.6
[M+K]+ 267.91702 142.3
[M+H-H2O]+ 211.95112 140.6
[M+HCOO]- 273.95206 159.0
[M+CH3COO]- 287.96771 183.8
[M+Na-2H]- 249.92853 146.6
[M]+ 228.95331 156.4
[M]- 228.95441 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