CID 3850760

373603-19-1

Structural Information

Molecular Formula
C9H8F2O2
SMILES
CC(=O)C1=C(C(=C(C=C1)F)OC)F
InChI
InChI=1S/C9H8F2O2/c1-5(12)6-3-4-7(10)9(13-2)8(6)11/h3-4H,1-2H3
InChIKey
KTZOZLGEZVDGMS-UHFFFAOYSA-N
Compound name
1-(2,4-difluoro-3-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

186.04924 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.056516 132.2
[M+Na]+ 209.038458 142.5
[M-H]- 185.041964 134.2
[M+NH4]+ 204.083063 152.7
[M+K]+ 225.012398 140.8
[M+H-H2O]+ 169.046500 125.3
[M+HCOO]- 231.047441 154.3
[M+CH3COO]- 245.063091 184.3
[M+Na-2H]- 207.023906 136.1
[M]+ 186.04869142 132.5
[M]- 186.04978858 132.5
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