CID 594417

2',4',5'-trifluoroacetophenone

Structural Information

Molecular Formula
C8H5F3O
SMILES
CC(=O)C1=CC(=C(C=C1F)F)F
InChI
InChI=1S/C8H5F3O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,1H3
InChIKey
GVTLJUZWNNFHMZ-UHFFFAOYSA-N
Compound name
1-(2,4,5-trifluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

260
Patents

174.02925 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03653 138.6
[M+Na]+ 197.01847 149.3
[M+NH4]+ 192.06307 144.9
[M+K]+ 212.99241 143.5
[M-H]- 173.02197 136.4
[M+Na-2H]- 195.00392 142.9
[M]+ 174.02870 139.2
[M]- 174.02980 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe