CID 3034465

Chloromethiuron

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂S

SMILES

CC1=C(C=CC(=C1)Cl)NC(=S)N(C)C

InChI

InChI=1S/C10H13ClN2S/c1-7-6-8(11)4-5-9(7)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)

InChIKey

IBZZDPVVVSNQOY-UHFFFAOYSA-N

Compound name

3-(4-chloro-2-methylphenyl)-1,1-dimethylthiourea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3439
Patents: 228.0488 Da
Monoisotopic Mass: 2.6
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]+	229.05608	150.2
[M+Na]+	251.03802	162.2
[M+NH4]+	246.08262	159.6
[M+K]+	267.01196	153.3
[M-H]-	227.04152	154.1
[M+Na-2H]-	249.02347	156.6
[M]+	228.04825	153.7
[M]-	228.04935	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe