CID 2782785

63529-30-6

Structural Information

Molecular Formula
C8H5BrClFO
SMILES
C1=CC(=C(C=C1C(=O)CBr)Cl)F
InChI
InChI=1S/C8H5BrClFO/c9-4-8(12)5-1-2-7(11)6(10)3-5/h1-3H,4H2
InChIKey
JOCPGHGWUUBURW-UHFFFAOYSA-N
Compound name
2-bromo-1-(3-chloro-4-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

249.91963 Da
Monoisotopic Mass

3.2
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

literature stripe

Patent stripe

patents stripe