CID 83402635

1261828-28-7

Structural Information

Molecular Formula
C10H11FO3
SMILES
COC1=C(C(=CC=C1)F)CCC(=O)O
InChI
InChI=1S/C10H11FO3/c1-14-9-4-2-3-8(11)7(9)5-6-10(12)13/h2-4H,5-6H2,1H3,(H,12,13)
InChIKey
ZHNDUZNFKUYUCM-UHFFFAOYSA-N
Compound name
3-(2-fluoro-6-methoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.06923 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07651 139.0
[M+Na]+ 221.05845 147.4
[M-H]- 197.06195 140.4
[M+NH4]+ 216.10305 157.9
[M+K]+ 237.03239 145.4
[M+H-H2O]+ 181.06649 132.6
[M+HCOO]- 243.06743 160.6
[M+CH3COO]- 257.08308 182.7
[M+Na-2H]- 219.04390 143.0
[M]+ 198.06868 140.0
[M]- 198.06978 140.0
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.