CID 121234640

1357624-45-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.91963 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.92691 140.2
[M+Na]+ 272.90885 153.0
[M-H]- 248.91235 145.5
[M+NH4]+ 267.95345 162.0
[M+K]+ 288.88279 140.5
[M+H-H2O]+ 232.91689 140.9
[M+HCOO]- 294.91783 155.8
[M+CH3COO]- 308.93348 189.0
[M+Na-2H]- 270.89430 146.0
[M]+ 249.91908 159.1
[M]- 249.92018 159.1
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.