CID 84115420

3-(4-fluorophenyl)-2-methoxypropanoic acid

Structural Information

Molecular Formula
C10H11FO3
SMILES
COC(CC1=CC=C(C=C1)F)C(=O)O
InChI
InChI=1S/C10H11FO3/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3,(H,12,13)
InChIKey
AAGMEAPWJXLMDI-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-2-methoxypropanoic 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]+ 199.076506 139.9
[M+Na]+ 221.058448 147.0
[M-H]- 197.061954 140.9
[M+NH4]+ 216.103053 158.4
[M+K]+ 237.032388 145.5
[M+H-H2O]+ 181.066490 133.3
[M+HCOO]- 243.067431 160.4
[M+CH3COO]- 257.083081 182.4
[M+Na-2H]- 219.043896 143.3
[M]+ 198.06868142 139.8
[M]- 198.06977858 139.8
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.