CID 137942668

2139971-88-1

Structural Information

Molecular Formula

C₁₂H₁₃FO₄

SMILES

C1CCOC(C1)OC2=CC(=C(C=C2)C(=O)O)F

InChI

InChI=1S/C12H13FO4/c13-10-7-8(4-5-9(10)12(14)15)17-11-3-1-2-6-16-11/h4-5,7,11H,1-3,6H2,(H,14,15)

InChIKey

OETGAWNRCYKXNA-UHFFFAOYSA-N

Compound name

2-fluoro-4-(oxan-2-yloxy)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 240.07979 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	241.08707	150.0
[M+Na]+	263.06901	155.7
[M-H]-	239.07251	154.3
[M+NH4]+	258.11361	165.1
[M+K]+	279.04295	154.7
[M+H-H2O]+	223.07705	142.2
[M+HCOO]-	285.07799	167.3
[M+CH3COO]-	299.09364	187.8
[M+Na-2H]-	261.05446	153.4
[M]+	240.07924	147.0
[M]-	240.08034	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe