PubChemLite - Metamifop (C23H18ClFN2O4)

Structural Information

Molecular Formula

SMILES

C[C@H](C(=O)N(C)C1=CC=CC=C1F)OC2=CC=C(C=C2)OC3=NC4=C(O3)C=C(C=C4)Cl

InChI

InChI=1S/C23H18ClFN2O4/c1-14(22(28)27(2)20-6-4-3-5-18(20)25)29-16-8-10-17(11-9-16)30-23-26-19-12-7-15(24)13-21(19)31-23/h3-14H,1-2H3/t14-/m1/s1

InChIKey

ADDQHLREJDZPMT-CQSZACIVSA-N

Compound name

(2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide

Related CIDs

2D Structure

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]+	441.10118	202.7
[M+Na]+	463.08312	211.7
[M-H]-	439.08662	213.5
[M+NH4]+	458.12772	212.9
[M+K]+	479.05706	208.1
[M+H-H2O]+	423.09116	192.0
[M+HCOO]-	485.09210	219.6
[M+CH3COO]-	499.10775	213.0
[M+Na-2H]-	461.06857	203.7
[M]+	440.09335	211.6
[M]-	440.09445	211.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.10118

202.7

[M+Na]+

463.08312

211.7

[M-H]-

439.08662

213.5

[M+NH4]+

458.12772

212.9

[M+K]+

479.05706

208.1

[M+H-H2O]+

423.09116

192.0

[M+HCOO]-

485.09210

219.6

[M+CH3COO]-

499.10775

213.0

[M+Na-2H]-

461.06857

203.7

[M]+

440.09335

211.6

[M]-

440.09445

211.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Metamifop

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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