PubChemLite - Noviflumuron (C17H7Cl2F9N2O3)

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2F)Cl)OC(C(C(F)(F)F)F)(F)F)Cl)F

InChI

InChI=1S/C17H7Cl2F9N2O3/c18-5-4-8(29-15(32)30-13(31)9-6(20)2-1-3-7(9)21)11(22)10(19)12(5)33-17(27,28)14(23)16(24,25)26/h1-4,14H,(H2,29,30,31,32)

InChIKey

YTYGAJLZOJPJGH-UHFFFAOYSA-N

Compound name

N-[[3,5-dichloro-2-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide

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]+	528.97628	199.5
[M+Na]+	550.95822	210.8
[M-H]-	526.96172	195.7
[M+NH4]+	546.00282	206.8
[M+K]+	566.93216	203.2
[M+H-H2O]+	510.96626	186.8
[M+HCOO]-	572.96720	201.5
[M+CH3COO]-	586.98285	244.8
[M+Na-2H]-	548.94367	195.7
[M]+	527.96845	194.3
[M]-	527.96955	194.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

528.97628

199.5

[M+Na]+

550.95822

210.8

[M-H]-

526.96172

195.7

[M+NH4]+

546.00282

206.8

[M+K]+

566.93216

203.2

[M+H-H2O]+

510.96626

186.8

[M+HCOO]-

572.96720

201.5

[M+CH3COO]-

586.98285

244.8

[M+Na-2H]-

548.94367

195.7

[M]+

527.96845

194.3

[M]-

527.96955

194.3

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

Noviflumuron

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe