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]+ 229.96114 136.7
[M+Na]+ 251.94308 150.5
[M-H]- 227.94658 139.4
[M+NH4]+ 246.98768 155.7
[M+K]+ 267.91702 138.8
[M+H-H2O]+ 211.95112 129.8
[M+HCOO]- 273.95206 154.9
[M+CH3COO]- 287.96771 196.6
[M+Na-2H]- 249.92853 142.4
[M]+ 228.95331 146.8
[M]- 228.95441 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.