CID 36478

Fluothiuron

Structural Information

Molecular Formula

C₁₀H₁₀Cl₂F₂N₂OS

SMILES

CN(C)C(=O)NC1=CC(=C(C=C1)SC(F)(F)Cl)Cl

InChI

InChI=1S/C10H10Cl2F2N2OS/c1-16(2)9(17)15-6-3-4-8(7(11)5-6)18-10(12,13)14/h3-5H,1-2H3,(H,15,17)

InChIKey

YFEUKKUPOVGUIW-UHFFFAOYSA-N

Compound name

3-[3-chloro-4-[chloro(difluoro)methyl]sulfanylphenyl]-1,1-dimethylurea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4718
Patents: 313.9859 Da
Monoisotopic Mass: 4.0
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]+	314.99318	160.4
[M+Na]+	336.97512	169.0
[M-H]-	312.97862	162.8
[M+NH4]+	332.01972	177.3
[M+K]+	352.94906	163.8
[M+H-H2O]+	296.98316	154.4
[M+HCOO]-	358.98410	168.1
[M+CH3COO]-	372.99975	208.0
[M+Na-2H]-	334.96057	161.2
[M]+	313.98535	163.7
[M]-	313.98645	163.7

Literature stripe

literature stripe

Patent stripe

patents stripe