CID 70577831

2-fluoro-4,5-dimethoxyphenol

Structural Information

Molecular Formula
C8H9FO3
SMILES
COC1=C(C=C(C(=C1)O)F)OC
InChI
InChI=1S/C8H9FO3/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4,10H,1-2H3
InChIKey
JDUSBXZLEPFCHK-UHFFFAOYSA-N
Compound name
2-fluoro-4,5-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

172.05357 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.060846 130.1
[M+Na]+ 195.042788 140.3
[M-H]- 171.046294 132.2
[M+NH4]+ 190.087393 150.6
[M+K]+ 211.016728 139.0
[M+H-H2O]+ 155.050830 124.2
[M+HCOO]- 217.051771 153.2
[M+CH3COO]- 231.067421 177.9
[M+Na-2H]- 193.028236 135.8
[M]+ 172.05302142 132.2
[M]- 172.05411858 132.2
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