CID 21098606

3-(4-fluoro-3-methoxyphenyl)propanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

198.06923 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.076506 139.0
[M+Na]+ 221.058448 147.4
[M-H]- 197.061954 140.4
[M+NH4]+ 216.103053 157.9
[M+K]+ 237.032388 145.4
[M+H-H2O]+ 181.066490 132.6
[M+HCOO]- 243.067431 160.6
[M+CH3COO]- 257.083081 182.7
[M+Na-2H]- 219.043896 143.0
[M]+ 198.06868142 140.0
[M]- 198.06977858 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

patents stripe