CID 54594549

1-(2-bromophenyl)-2-(trifluoromethoxy)ethan-1-one

Structural Information

Molecular Formula
C9H6BrF3O2
SMILES
C1=CC=C(C(=C1)C(=O)COC(F)(F)F)Br
InChI
InChI=1S/C9H6BrF3O2/c10-7-4-2-1-3-6(7)8(14)5-15-9(11,12)13/h1-4H,5H2
InChIKey
OCCAPKAEMDLIGZ-UHFFFAOYSA-N
Compound name
1-(2-bromophenyl)-2-(trifluoromethoxy)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.95032 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.957596 152.2
[M+Na]+ 304.939538 164.1
[M-H]- 280.943044 154.9
[M+NH4]+ 299.984143 171.8
[M+K]+ 320.913478 153.0
[M+H-H2O]+ 264.947580 150.1
[M+HCOO]- 326.948521 169.3
[M+CH3COO]- 340.964171 194.1
[M+Na-2H]- 302.924986 157.9
[M]+ 281.94977142 168.4
[M]- 281.95086858 168.4
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.