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]+ 282.95760 152.2
[M+Na]+ 304.93954 164.1
[M-H]- 280.94304 154.9
[M+NH4]+ 299.98414 171.8
[M+K]+ 320.91348 153.0
[M+H-H2O]+ 264.94758 150.1
[M+HCOO]- 326.94852 169.3
[M+CH3COO]- 340.96417 194.1
[M+Na-2H]- 302.92499 157.9
[M]+ 281.94977 168.4
[M]- 281.95087 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.