CID 2776907

3',4',5'-trifluoroacetophenone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

281
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

No literature data available for this compound.

Patent stripe

patents stripe