CID 84775699

4-fluoro-3,5-dimethoxybenzoic acid

Structural Information

Molecular Formula
C9H9FO4
SMILES
COC1=CC(=CC(=C1F)OC)C(=O)O
InChI
InChI=1S/C9H9FO4/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4H,1-2H3,(H,11,12)
InChIKey
LDJAUDBJSALIOX-UHFFFAOYSA-N
Compound name
4-fluoro-3,5-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

200.0485 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.05578 136.3
[M+Na]+ 223.03772 146.0
[M-H]- 199.04122 138.3
[M+NH4]+ 218.08232 155.4
[M+K]+ 239.01166 144.9
[M+H-H2O]+ 183.04576 130.1
[M+HCOO]- 245.04670 158.4
[M+CH3COO]- 259.06235 183.1
[M+Na-2H]- 221.02317 140.3
[M]+ 200.04795 138.9
[M]- 200.04905 138.9
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