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

25
Patents

186.04924 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05652 132.2
[M+Na]+ 209.03846 142.5
[M-H]- 185.04196 134.2
[M+NH4]+ 204.08306 152.7
[M+K]+ 225.01240 140.8
[M+H-H2O]+ 169.04650 125.3
[M+HCOO]- 231.04744 154.3
[M+CH3COO]- 245.06309 184.3
[M+Na-2H]- 207.02391 136.1
[M]+ 186.04869 132.5
[M]- 186.04979 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