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]+ 266.96268 147.1
[M+Na]+ 288.94462 160.0
[M-H]- 264.94812 150.2
[M+NH4]+ 283.98922 167.6
[M+K]+ 304.91856 148.5
[M+H-H2O]+ 248.95266 145.0
[M+HCOO]- 310.95360 164.4
[M+CH3COO]- 324.96925 195.6
[M+Na-2H]- 286.93007 149.7
[M]+ 265.95485 162.5
[M]- 265.95595 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.