CID 1545721

3-(2-fluorophenoxy)propanoic acid

Structural Information

Molecular Formula
C9H9FO3
SMILES
C1=CC=C(C(=C1)OCCC(=O)O)F
InChI
InChI=1S/C9H9FO3/c10-7-3-1-2-4-8(7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12)
InChIKey
HTFQCXHHEIUZPM-UHFFFAOYSA-N
Compound name
3-(2-fluorophenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

94
Patents

184.05357 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.06085 135.0
[M+Na]+ 207.04279 142.9
[M-H]- 183.04629 136.2
[M+NH4]+ 202.08739 154.1
[M+K]+ 223.01673 141.1
[M+H-H2O]+ 167.05083 128.5
[M+HCOO]- 229.05177 156.9
[M+CH3COO]- 243.06742 178.5
[M+Na-2H]- 205.02824 140.2
[M]+ 184.05302 135.3
[M]- 184.05412 135.3
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