CID 53436402

947533-64-4

Structural Information

Molecular Formula

C₁₀H₉F₂IO₃

SMILES

CCOC(=O)C(OC1=CC=C(C=C1)I)(F)F

InChI

InChI=1S/C10H9F2IO3/c1-2-15-9(14)10(11,12)16-8-5-3-7(13)4-6-8/h3-6H,2H2,1H3

InChIKey

RYVJOPUHWCJQRR-UHFFFAOYSA-N

Compound name

ethyl 2,2-difluoro-2-(4-iodophenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 341.95645 Da
Monoisotopic Mass: 3.6
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]+	342.96373	157.9
[M+Na]+	364.94567	158.9
[M-H]-	340.94917	152.1
[M+NH4]+	359.99027	170.8
[M+K]+	380.91961	163.2
[M+H-H2O]+	324.95371	146.8
[M+HCOO]-	386.95465	173.0
[M+CH3COO]-	400.97030	197.5
[M+Na-2H]-	362.93112	150.5
[M]+	341.95590	156.0
[M]-	341.95700	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe