CID 37123

Diflubenzuron

Structural Information

Molecular Formula

C₁₄H₉ClF₂N₂O₂

SMILES

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

InChI

InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)

InChIKey

QQQYTWIFVNKMRW-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 426
References: 29202
Patents: 310.03207 Da
Monoisotopic Mass: 3.9
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]+	311.03935	164.7
[M+Na]+	333.02129	173.5
[M-H]-	309.02479	169.3
[M+NH4]+	328.06589	179.8
[M+K]+	348.99523	167.8
[M+H-H2O]+	293.02933	156.2
[M+HCOO]-	355.03027	183.4
[M+CH3COO]-	369.04592	206.8
[M+Na-2H]-	331.00674	167.3
[M]+	310.03152	163.9
[M]-	310.03262	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe