CID 50989246

1183759-96-7

Structural Information

Molecular Formula

C₁₄H₁₁FO₃

SMILES

COC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)F

InChI

InChI=1S/C14H11FO3/c1-18-11-5-2-9(3-6-11)10-4-7-12(14(16)17)13(15)8-10/h2-8H,1H3,(H,16,17)

InChIKey

PSSAAJSOCSSGOZ-UHFFFAOYSA-N

Compound name

2-fluoro-4-(4-methoxyphenyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 246.06923 Da
Monoisotopic Mass: 3.1
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]+	247.076506	151.0
[M+Na]+	269.058448	159.8
[M-H]-	245.061954	155.8
[M+NH4]+	264.103053	167.7
[M+K]+	285.032388	156.3
[M+H-H2O]+	229.066490	143.2
[M+HCOO]-	291.067431	172.6
[M+CH3COO]-	305.083081	191.8
[M+Na-2H]-	267.043896	154.7
[M]+	246.06868142	151.3
[M]-	246.06977858	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe