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

3
Patents

172.05357 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.06085 130.1
[M+Na]+ 195.04279 140.3
[M-H]- 171.04629 132.2
[M+NH4]+ 190.08739 150.6
[M+K]+ 211.01673 139.0
[M+H-H2O]+ 155.05083 124.2
[M+HCOO]- 217.05177 153.2
[M+CH3COO]- 231.06742 177.9
[M+Na-2H]- 193.02824 135.8
[M]+ 172.05302 132.2
[M]- 172.05412 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