PubChemLite - Metaflumizone (C24H16F6N4O2)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC(=C1)C(F)(F)F)/C(=N/NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)/CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21+

InChIKey

MIFOMMKAVSCNKQ-QNKGDIEWSA-N

Compound name

1-[(E)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea

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]+	507.12502	219.1
[M+Na]+	529.10696	225.7
[M-H]-	505.11046	219.2
[M+NH4]+	524.15156	223.1
[M+K]+	545.08090	218.6
[M+H-H2O]+	489.11500	197.6
[M+HCOO]-	551.11594	231.1
[M+CH3COO]-	565.13159	252.6
[M+Na-2H]-	527.09241	218.3
[M]+	506.11719	206.4
[M]-	506.11829	206.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

507.12502

219.1

[M+Na]+

529.10696

225.7

[M-H]-

505.11046

219.2

[M+NH4]+

524.15156

223.1

[M+K]+

545.08090

218.6

[M+H-H2O]+

489.11500

197.6

[M+HCOO]-

551.11594

231.1

[M+CH3COO]-

565.13159

252.6

[M+Na-2H]-

527.09241

218.3

[M]+

506.11719

206.4

[M]-

506.11829

206.4

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

Metaflumizone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe