CID 12593335

2-chloro-4-fluorophenacyl bromide

Structural Information

Molecular Formula
C8H5BrClFO
SMILES
C1=CC(=C(C=C1F)Cl)C(=O)CBr
InChI
InChI=1S/C8H5BrClFO/c9-4-8(12)6-2-1-5(11)3-7(6)10/h1-3H,4H2
InChIKey
GPPRXWUEJFPEDL-UHFFFAOYSA-N
Compound name
2-bromo-1-(2-chloro-4-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

249.91963 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.92691 141.7
[M+Na]+ 272.90885 146.0
[M+NH4]+ 267.95345 146.7
[M+K]+ 288.88279 145.1
[M-H]- 248.91235 141.3
[M+Na-2H]- 270.89430 145.2
[M]+ 249.91908 141.2
[M]- 249.92018 141.2
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