CID 2759734

2,2,2-trifluoro-1-(3-methoxyphenyl)ethanone

Structural Information

Molecular Formula
C9H7F3O2
SMILES
COC1=CC=CC(=C1)C(=O)C(F)(F)F
InChI
InChI=1S/C9H7F3O2/c1-14-7-4-2-3-6(5-7)8(13)9(10,11)12/h2-5H,1H3
InChIKey
YCVFUKRFGPIHOI-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(3-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

204.03981 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04709 145.9
[M+Na]+ 227.02903 155.1
[M+NH4]+ 222.07363 151.3
[M+K]+ 243.00297 150.3
[M-H]- 203.03253 142.5
[M+Na-2H]- 225.01448 149.9
[M]+ 204.03926 146.0
[M]- 204.04036 146.0
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