CID 43436577

2-(4-bromo-2-fluorophenyl)-2-hydroxyacetonitrile

Structural Information

Molecular Formula
C8H5BrFNO
SMILES
C1=CC(=C(C=C1Br)F)C(C#N)O
InChI
InChI=1S/C8H5BrFNO/c9-5-1-2-6(7(10)3-5)8(12)4-11/h1-3,8,12H
InChIKey
KIHZCXGBIKZKML-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-fluorophenyl)-2-hydroxyacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.95386 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.961136 136.7
[M+Na]+ 251.943078 150.5
[M-H]- 227.946584 139.4
[M+NH4]+ 246.987683 155.7
[M+K]+ 267.917018 138.8
[M+H-H2O]+ 211.951120 129.8
[M+HCOO]- 273.952061 154.9
[M+CH3COO]- 287.967711 196.6
[M+Na-2H]- 249.928526 142.4
[M]+ 228.95331142 146.8
[M]- 228.95440858 146.8
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.