CID 2778930

2-bromo-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone

Structural Information

Molecular Formula
C9H5BrF4O
SMILES
C1=C(C=C(C=C1C(F)(F)F)F)C(=O)CBr
InChI
InChI=1S/C9H5BrF4O/c10-4-8(15)5-1-6(9(12,13)14)3-7(11)2-5/h1-3H,4H2
InChIKey
SQVOBBIFCRMZOB-UHFFFAOYSA-N
Compound name
2-bromo-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

283.94598 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.95326 152.6
[M+Na]+ 306.93520 165.5
[M-H]- 282.93870 154.4
[M+NH4]+ 301.97980 172.3
[M+K]+ 322.90914 153.5
[M+H-H2O]+ 266.94324 150.0
[M+HCOO]- 328.94418 168.4
[M+CH3COO]- 342.95983 196.0
[M+Na-2H]- 304.92065 156.9
[M]+ 283.94543 166.5
[M]- 283.94653 166.5
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

patents stripe