CID 23391161

2obzodfp

Structural Information

Molecular Formula

C₁₅H₁₂F₂O₃

SMILES

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

InChI

InChI=1S/C15H12F2O3/c1-2-19-12-6-3-10(4-7-12)15(18)20-14-8-5-11(16)9-13(14)17/h3-9H,2H2,1H3

InChIKey

UWEZOEPPIQCGEE-UHFFFAOYSA-N

Compound name

(2,4-difluorophenyl) 4-ethoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 278.07544 Da
Monoisotopic Mass: 3.9
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]+	279.08272	158.7
[M+Na]+	301.06466	167.7
[M-H]-	277.06816	163.3
[M+NH4]+	296.10926	174.8
[M+K]+	317.03860	164.3
[M+H-H2O]+	261.07270	149.3
[M+HCOO]-	323.07364	180.4
[M+CH3COO]-	337.08929	199.3
[M+Na-2H]-	299.05011	161.6
[M]+	278.07489	160.0
[M]-	278.07599	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe