CID 13276219

2-fluoro-1-(3-methoxyphenyl)ethanone

Structural Information

Molecular Formula
C9H9FO2
SMILES
COC1=CC=CC(=C1)C(=O)CF
InChI
InChI=1S/C9H9FO2/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5H,6H2,1H3
InChIKey
APIXJJJKZGSCON-UHFFFAOYSA-N
Compound name
2-fluoro-1-(3-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

168.05865 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.065926 131.2
[M+Na]+ 191.047868 139.6
[M-H]- 167.051374 133.8
[M+NH4]+ 186.092473 151.8
[M+K]+ 207.021808 138.2
[M+H-H2O]+ 151.055910 124.8
[M+HCOO]- 213.056851 154.4
[M+CH3COO]- 227.072501 179.1
[M+Na-2H]- 189.033316 137.0
[M]+ 168.05810142 131.9
[M]- 168.05919858 131.9
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