CID 138040294

1-(3,5-dichloro-4-methylphenyl)-3,3-dimethylurea

Structural Information

Molecular Formula

C₁₀H₁₂Cl₂N₂O

SMILES

CC1=C(C=C(C=C1Cl)NC(=O)N(C)C)Cl

InChI

InChI=1S/C10H12Cl2N2O/c1-6-8(11)4-7(5-9(6)12)13-10(15)14(2)3/h4-5H,1-3H3,(H,13,15)

InChIKey

HRVHKEKTLNYQNT-UHFFFAOYSA-N

Compound name

3-(3,5-dichloro-4-methylphenyl)-1,1-dimethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.03267 Da
Monoisotopic Mass: 3.4
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]+	247.039946	152.0
[M+Na]+	269.021888	161.5
[M-H]-	245.025394	157.0
[M+NH4]+	264.066493	171.5
[M+K]+	284.995828	157.6
[M+H-H2O]+	229.029930	147.8
[M+HCOO]-	291.030871	168.6
[M+CH3COO]-	305.046521	200.0
[M+Na-2H]-	267.007336	154.7
[M]+	246.03212142	156.3
[M]-	246.03321858	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.