CID 6501000

4-(2-fluorophenoxy)butanoic acid

Structural Information

Molecular Formula
C10H11FO3
SMILES
C1=CC=C(C(=C1)OCCCC(=O)O)F
InChI
InChI=1S/C10H11FO3/c11-8-4-1-2-5-9(8)14-7-3-6-10(12)13/h1-2,4-5H,3,6-7H2,(H,12,13)
InChIKey
IDSIMWLXSYHZKA-UHFFFAOYSA-N
Compound name
4-(2-fluorophenoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
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 147.2
[M-H]- 197.06195 140.7
[M+NH4]+ 216.10305 158.3
[M+K]+ 237.03239 145.1
[M+H-H2O]+ 181.06649 133.0
[M+HCOO]- 243.06743 161.3
[M+CH3COO]- 257.08308 181.6
[M+Na-2H]- 219.04390 144.4
[M]+ 198.06868 140.3
[M]- 198.06978 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe