CID 3021208

Urea, 1-(2-(p-chlorophenoxy)-2-methylpropyl)-

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂O₂

SMILES

CC(C)(CNC(=O)N)OC1=CC=C(C=C1)Cl

InChI

InChI=1S/C11H15ClN2O2/c1-11(2,7-14-10(13)15)16-9-5-3-8(12)4-6-9/h3-6H,7H2,1-2H3,(H3,13,14,15)

InChIKey

IEXVJWFQJOSIAC-UHFFFAOYSA-N

Compound name

[2-(4-chlorophenoxy)-2-methylpropyl]urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.0822 Da
Monoisotopic Mass: 1.9
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]+	243.089476	153.8
[M+Na]+	265.071418	160.7
[M-H]-	241.074924	157.0
[M+NH4]+	260.116023	171.5
[M+K]+	281.045358	157.3
[M+H-H2O]+	225.079460	148.5
[M+HCOO]-	287.080401	172.7
[M+CH3COO]-	301.096051	195.2
[M+Na-2H]-	263.056866	158.7
[M]+	242.08165142	155.3
[M]-	242.08274858	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.