CID 22165717

2-fluoro-1-[4-(trifluoromethyl)phenyl]ethan-1-one

Structural Information

Molecular Formula
C9H6F4O
SMILES
C1=CC(=CC=C1C(=O)CF)C(F)(F)F
InChI
InChI=1S/C9H6F4O/c10-5-8(14)6-1-3-7(4-2-6)9(11,12)13/h1-4H,5H2
InChIKey
WOXTWIBVCMHTSZ-UHFFFAOYSA-N
Compound name
2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

206.03548 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.042756 136.4
[M+Na]+ 229.024698 145.5
[M-H]- 205.028204 135.2
[M+NH4]+ 224.069303 155.4
[M+K]+ 244.998638 142.7
[M+H-H2O]+ 189.032740 127.8
[M+HCOO]- 251.033681 154.5
[M+CH3COO]- 265.049331 185.3
[M+Na-2H]- 227.010146 141.0
[M]+ 206.03493142 131.4
[M]- 206.03602858 131.4
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