CID 91741

Hexaflumuron

Structural Information

Molecular Formula

C₁₆H₈Cl₂F₆N₂O₃

SMILES

C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2)Cl)OC(C(F)F)(F)F)Cl)F

InChI

InChI=1S/C16H8Cl2F6N2O3/c17-7-4-6(5-8(18)12(7)29-16(23,24)14(21)22)25-15(28)26-13(27)11-9(19)2-1-3-10(11)20/h1-5,14H,(H2,25,26,27,28)

InChIKey

RGNPBRKPHBKNKX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 94
References: 59061
Patents: 459.98163 Da
Monoisotopic Mass: 5.7
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]+	460.988906	188.3
[M+Na]+	482.970848	198.6
[M-H]-	458.974354	187.7
[M+NH4]+	478.015453	198.1
[M+K]+	498.944788	191.6
[M+H-H2O]+	442.978890	177.6
[M+HCOO]-	504.979831	195.1
[M+CH3COO]-	518.995481	233.2
[M+Na-2H]-	480.956296	186.0
[M]+	459.98108142	186.6
[M]-	459.98217858	186.6

Literature stripe

literature stripe

Patent stripe

patents stripe