CID 121591461

1805518-55-1

Structural Information

Molecular Formula
C8H4Br2ClFO
SMILES
C1=C(C=C(C(=C1F)C(=O)CBr)Cl)Br
InChI
InChI=1S/C8H4Br2ClFO/c9-3-7(13)8-5(11)1-4(10)2-6(8)12/h1-2H,3H2
InChIKey
XIDFFGJQEPUEGX-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-bromo-2-chloro-6-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.83014 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.83742 143.7
[M+Na]+ 350.81936 157.0
[M-H]- 326.82286 150.0
[M+NH4]+ 345.86396 163.1
[M+K]+ 366.79330 139.6
[M+H-H2O]+ 310.82740 152.0
[M+HCOO]- 372.82834 155.6
[M+CH3COO]- 386.84399 206.6
[M+Na-2H]- 348.80481 149.2
[M]+ 327.82959 178.6
[M]- 327.83069 178.6
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.