CID 81305324

Akos019877318

Structural Information

Molecular Formula
C10H11FO3
SMILES
COCC(=O)C1=C(C=C(C=C1)OC)F
InChI
InChI=1S/C10H11FO3/c1-13-6-10(12)8-4-3-7(14-2)5-9(8)11/h3-5H,6H2,1-2H3
InChIKey
WDTKENUZPYEQSY-UHFFFAOYSA-N
Compound name
1-(2-fluoro-4-methoxyphenyl)-2-methoxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.06923 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07651 138.2
[M+Na]+ 221.05845 147.1
[M-H]- 197.06195 141.0
[M+NH4]+ 216.10305 157.9
[M+K]+ 237.03239 146.0
[M+H-H2O]+ 181.06649 131.6
[M+HCOO]- 243.06743 161.3
[M+CH3COO]- 257.08308 185.4
[M+Na-2H]- 219.04390 142.8
[M]+ 198.06868 141.2
[M]- 198.06978 141.2
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

No patent data available for this compound.