CID 23434398

519050-77-2

Structural Information

Molecular Formula
C9H9FO4
SMILES
COC1=C(C(=CC=C1)F)OCC(=O)O
InChI
InChI=1S/C9H9FO4/c1-13-7-4-2-3-6(10)9(7)14-5-8(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKey
KLZJSQDVSPJMAA-UHFFFAOYSA-N
Compound name
2-(2-fluoro-6-methoxyphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

200.0485 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.055776 137.1
[M+Na]+ 223.037718 145.8
[M-H]- 199.041224 138.7
[M+NH4]+ 218.082323 155.9
[M+K]+ 239.011658 144.7
[M+H-H2O]+ 183.045760 130.7
[M+HCOO]- 245.046701 159.3
[M+CH3COO]- 259.062351 181.8
[M+Na-2H]- 221.023166 141.7
[M]+ 200.04795142 139.3
[M]- 200.04904858 139.3
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