CID 23391228

2obzofp

Structural Information

Molecular Formula

C₁₅H₁₃FO₃

SMILES

CCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)F

InChI

InChI=1S/C15H13FO3/c1-2-18-13-7-3-11(4-8-13)15(17)19-14-9-5-12(16)6-10-14/h3-10H,2H2,1H3

InChIKey

NBXJDDYMZYLJIJ-UHFFFAOYSA-N

Compound name

(4-fluorophenyl) 4-ethoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 260.08487 Da
Monoisotopic Mass: 4.0
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]+	261.09215	156.1
[M+Na]+	283.07409	164.1
[M-H]-	259.07759	161.7
[M+NH4]+	278.11869	172.7
[M+K]+	299.04803	161.1
[M+H-H2O]+	243.08213	147.5
[M+HCOO]-	305.08307	178.9
[M+CH3COO]-	319.09872	195.4
[M+Na-2H]-	281.05954	160.3
[M]+	260.08432	158.0
[M]-	260.08542	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe