CID 9905

2,2,2-trifluoroacetophenone

Structural Information

Molecular Formula
C8H5F3O
SMILES
C1=CC=C(C=C1)C(=O)C(F)(F)F
InChI
InChI=1S/C8H5F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H
InChIKey
KZJRKRQSDZGHEC-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

32
References

3653
Patents

174.02925 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03653 138.6
[M+Na]+ 197.01847 148.0
[M+NH4]+ 192.06307 144.7
[M+K]+ 212.99241 142.8
[M-H]- 173.02197 135.6
[M+Na-2H]- 195.00392 143.5
[M]+ 174.02870 138.8
[M]- 174.02980 138.8
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