CID 100954

59089-67-7

Structural Information

Molecular Formula

C₁₄H₁₀F₂O₂

SMILES

CC(=O)OC1=CC=C(C=C1)C2=C(C=C(C=C2)F)F

InChI

InChI=1S/C14H10F2O2/c1-9(17)18-12-5-2-10(3-6-12)13-7-4-11(15)8-14(13)16/h2-8H,1H3

InChIKey

XJRFDJWJMQOWDU-UHFFFAOYSA-N

Compound name

[4-(2,4-difluorophenyl)phenyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 248.06488 Da
Monoisotopic Mass: 3.5
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]+	249.07216	150.5
[M+Na]+	271.05410	160.1
[M-H]-	247.05760	155.4
[M+NH4]+	266.09870	168.0
[M+K]+	287.02804	156.4
[M+H-H2O]+	231.06214	141.7
[M+HCOO]-	293.06308	172.4
[M+CH3COO]-	307.07873	194.3
[M+Na-2H]-	269.03955	154.0
[M]+	248.06433	150.0
[M]-	248.06543	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe