CID 10987258

2-fluoro-4,6-dimethoxybenzoic acid

Structural Information

Molecular Formula
C9H9FO4
SMILES
COC1=CC(=C(C(=C1)F)C(=O)O)OC
InChI
InChI=1S/C9H9FO4/c1-13-5-3-6(10)8(9(11)12)7(4-5)14-2/h3-4H,1-2H3,(H,11,12)
InChIKey
AJGKGSRAUIBYLQ-UHFFFAOYSA-N
Compound name
2-fluoro-4,6-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

200.0485 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.055776 136.3
[M+Na]+ 223.037718 146.0
[M-H]- 199.041224 138.3
[M+NH4]+ 218.082323 155.4
[M+K]+ 239.011658 144.9
[M+H-H2O]+ 183.045760 130.1
[M+HCOO]- 245.046701 158.4
[M+CH3COO]- 259.062351 183.1
[M+Na-2H]- 221.023166 140.3
[M]+ 200.04795142 138.9
[M]- 200.04904858 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