CID 3853246

886498-84-6

Structural Information

Molecular Formula
C9H8F2O2
SMILES
CC(=O)C1=C(C=C(C=C1F)OC)F
InChI
InChI=1S/C9H8F2O2/c1-5(12)9-7(10)3-6(13-2)4-8(9)11/h3-4H,1-2H3
InChIKey
YZVNPIUPAKOREH-UHFFFAOYSA-N
Compound name
1-(2,6-difluoro-4-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
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

literature stripe

Patent stripe

patents stripe