CID 68520

588-25-0

Structural Information

Molecular Formula
C10H11FO3
SMILES
C1=CC(=C(C=C1CCCC(=O)O)F)O
InChI
InChI=1S/C10H11FO3/c11-8-6-7(4-5-9(8)12)2-1-3-10(13)14/h4-6,12H,1-3H2,(H,13,14)
InChIKey
UKBRLKIGCWRGBH-UHFFFAOYSA-N
Compound name
4-(3-fluoro-4-hydroxyphenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
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 139.7
[M+Na]+ 221.05845 147.6
[M-H]- 197.06195 139.7
[M+NH4]+ 216.10305 157.9
[M+K]+ 237.03239 144.7
[M+H-H2O]+ 181.06649 133.5
[M+HCOO]- 243.06743 159.7
[M+CH3COO]- 257.08308 180.2
[M+Na-2H]- 219.04390 143.2
[M]+ 198.06868 138.8
[M]- 198.06978 138.8
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

patents stripe