CID 47938

Fenoxaprop-ethyl

Structural Information

Molecular Formula

C₁₈H₁₆ClNO₅

SMILES

CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl

InChI

InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3

InChIKey

PQKBPHSEKWERTG-UHFFFAOYSA-N

Compound name

ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 88
References: 21649
Patents: 361.0717 Da
Monoisotopic Mass: 4.1
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]+	362.078976	180.2
[M+Na]+	384.060918	190.1
[M-H]-	360.064424	188.0
[M+NH4]+	379.105523	193.9
[M+K]+	400.034858	187.5
[M+H-H2O]+	344.068960	172.5
[M+HCOO]-	406.069901	197.5
[M+CH3COO]-	420.085551	211.6
[M+Na-2H]-	382.046366	183.4
[M]+	361.07115142	191.3
[M]-	361.07224858	191.3

Literature stripe

literature stripe

Patent stripe

patents stripe