CID 46835331

1-(3-bromo-2,4-difluorophenyl)ethanone

Structural Information

Molecular Formula
C8H5BrF2O
SMILES
CC(=O)C1=C(C(=C(C=C1)F)Br)F
InChI
InChI=1S/C8H5BrF2O/c1-4(12)5-2-3-6(10)7(9)8(5)11/h2-3H,1H3
InChIKey
NOQZJPYTXYUMAU-UHFFFAOYSA-N
Compound name
1-(3-bromo-2,4-difluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.94917 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.956446 137.9
[M+Na]+ 256.938388 151.6
[M-H]- 232.941894 142.6
[M+NH4]+ 251.982993 159.9
[M+K]+ 272.912328 140.4
[M+H-H2O]+ 216.946430 137.0
[M+HCOO]- 278.947371 157.6
[M+CH3COO]- 292.963021 189.3
[M+Na-2H]- 254.923836 143.1
[M]+ 233.94862142 154.9
[M]- 233.94971858 154.9
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.