PubChemLite - Fluxametamide (C20H16Cl2F3N3O3)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)C2=NOC(C2)(C3=CC(=CC(=C3)Cl)Cl)C(F)(F)F)C(=O)NC=NOC

InChI

InChI=1S/C20H16Cl2F3N3O3/c1-11-5-12(3-4-16(11)18(29)26-10-27-30-2)17-9-19(31-28-17,20(23,24)25)13-6-14(21)8-15(22)7-13/h3-8,10H,9H2,1-2H3,(H,26,27,29)

InChIKey

BPFUIWLQXNPZHI-UHFFFAOYSA-N

Compound name

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(methoxyiminomethyl)-2-methylbenzamide

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]+	474.05938	205.2
[M+Na]+	496.04132	215.4
[M-H]-	472.04482	211.9
[M+NH4]+	491.08592	216.1
[M+K]+	512.01526	209.6
[M+H-H2O]+	456.04936	194.9
[M+HCOO]-	518.05030	215.1
[M+CH3COO]-	532.06595	235.7
[M+Na-2H]-	494.02677	205.8
[M]+	473.05155	209.3
[M]-	473.05265	209.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

474.05938

205.2

[M+Na]+

496.04132

215.4

[M-H]-

472.04482

211.9

[M+NH4]+

491.08592

216.1

[M+K]+

512.01526

209.6

[M+H-H2O]+

456.04936

194.9

[M+HCOO]-

518.05030

215.1

[M+CH3COO]-

532.06595

235.7

[M+Na-2H]-

494.02677

205.8

[M]+

473.05155

209.3

[M]-

473.05265

209.3

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

Fluxametamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe