CID 57362911

1092460-64-4

Structural Information

Molecular Formula
C10H10F2O3
SMILES
COC1=C(C=C(C=C1F)F)CCC(=O)O
InChI
InChI=1S/C10H10F2O3/c1-15-10-6(2-3-9(13)14)4-7(11)5-8(10)12/h4-5H,2-3H2,1H3,(H,13,14)
InChIKey
CFDNYIGTRFYOKF-UHFFFAOYSA-N
Compound name
3-(3,5-difluoro-2-methoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.0598 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06708 141.0
[M+Na]+ 239.04902 150.3
[M-H]- 215.05252 141.3
[M+NH4]+ 234.09362 159.4
[M+K]+ 255.02296 148.0
[M+H-H2O]+ 199.05706 133.8
[M+HCOO]- 261.05800 161.5
[M+CH3COO]- 275.07365 186.7
[M+Na-2H]- 237.03447 143.7
[M]+ 216.05925 141.2
[M]- 216.06035 141.2
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

No patent data available for this compound.