CID 2060836

1-[4-(difluoromethoxy)-3-methoxyphenyl]ethan-1-one

Structural Information

Molecular Formula
C10H10F2O3
SMILES
CC(=O)C1=CC(=C(C=C1)OC(F)F)OC
InChI
InChI=1S/C10H10F2O3/c1-6(13)7-3-4-8(15-10(11)12)9(5-7)14-2/h3-5,10H,1-2H3
InChIKey
FWNOLCFYMAUUON-UHFFFAOYSA-N
Compound name
1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

216.0598 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06708 141.1
[M+Na]+ 239.04902 149.7
[M-H]- 215.05252 142.6
[M+NH4]+ 234.09362 159.8
[M+K]+ 255.02296 148.7
[M+H-H2O]+ 199.05706 133.5
[M+HCOO]- 261.05800 162.1
[M+CH3COO]- 275.07365 189.0
[M+Na-2H]- 237.03447 143.8
[M]+ 216.05925 142.2
[M]- 216.06035 142.2
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

patents stripe