CID 9600

351-69-9

Structural Information

Molecular Formula

C₁₄H₂₀FNO₃

SMILES

CCN(CC)CCOC(=O)COC1=CC=C(C=C1)F

InChI

InChI=1S/C14H20FNO3/c1-3-16(4-2)9-10-18-14(17)11-19-13-7-5-12(15)6-8-13/h5-8H,3-4,9-11H2,1-2H3

InChIKey

SOIUHBSEUBGVKM-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 2-(4-fluorophenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 269.14273 Da
Monoisotopic Mass: 2.7
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]+	270.15001	162.4
[M+Na]+	292.13195	167.8
[M-H]-	268.13545	165.4
[M+NH4]+	287.17655	179.1
[M+K]+	308.10589	167.1
[M+H-H2O]+	252.13999	154.0
[M+HCOO]-	314.14093	185.6
[M+CH3COO]-	328.15658	203.9
[M+Na-2H]-	290.11740	164.9
[M]+	269.14218	166.8
[M]-	269.14328	166.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe