CID 43144134

2-bromo-1-(2,4,6-trifluorophenyl)propan-1-one

Structural Information

Molecular Formula
C9H6BrF3O
SMILES
CC(C(=O)C1=C(C=C(C=C1F)F)F)Br
InChI
InChI=1S/C9H6BrF3O/c1-4(10)9(14)8-6(12)2-5(11)3-7(8)13/h2-4H,1H3
InChIKey
HRUCKGJEHROEGC-UHFFFAOYSA-N
Compound name
2-bromo-1-(2,4,6-trifluorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.9554 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.962676 147.1
[M+Na]+ 288.944618 160.0
[M-H]- 264.948124 150.2
[M+NH4]+ 283.989223 167.6
[M+K]+ 304.918558 148.5
[M+H-H2O]+ 248.952660 145.0
[M+HCOO]- 310.953601 164.4
[M+CH3COO]- 324.969251 195.6
[M+Na-2H]- 286.930066 149.7
[M]+ 265.95485142 162.5
[M]- 265.95594858 162.5
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.