CID 83409944

1540199-39-0

Structural Information

Molecular Formula
C8H5BrClFO
SMILES
CC(=O)C1=C(C=CC(=C1F)Cl)Br
InChI
InChI=1S/C8H5BrClFO/c1-4(12)7-5(9)2-3-6(10)8(7)11/h2-3H,1H3
InChIKey
NAMYUIXIQALERX-UHFFFAOYSA-N
Compound name
1-(6-bromo-3-chloro-2-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

249.91963 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.92691 141.3
[M+Na]+ 272.90885 146.0
[M+NH4]+ 267.95345 146.3
[M+K]+ 288.88279 145.2
[M-H]- 248.91235 140.9
[M+Na-2H]- 270.89430 144.7
[M]+ 249.91908 141.0
[M]- 249.92018 141.0
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