CID 2774257

1-fluoro-3,5-dimethoxybenzene

Structural Information

Molecular Formula
C8H9FO2
SMILES
COC1=CC(=CC(=C1)F)OC
InChI
InChI=1S/C8H9FO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3
InChIKey
IWFKMNAEFPEIOY-UHFFFAOYSA-N
Compound name
1-fluoro-3,5-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1686
Patents

156.05865 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.06593 126.8
[M+Na]+ 179.04787 136.6
[M-H]- 155.05137 130.0
[M+NH4]+ 174.09247 148.5
[M+K]+ 195.02181 135.7
[M+H-H2O]+ 139.05591 120.8
[M+HCOO]- 201.05685 151.2
[M+CH3COO]- 215.07250 177.3
[M+Na-2H]- 177.03332 133.8
[M]+ 156.05810 129.0
[M]- 156.05920 129.0
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