CID 269028

13208-26-9

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O

SMILES

CCCNC(=O)NC1=CC(=CC=C1)Cl

InChI

InChI=1S/C10H13ClN2O/c1-2-6-12-10(14)13-9-5-3-4-8(11)7-9/h3-5,7H,2,6H2,1H3,(H2,12,13,14)

InChIKey

FWSWKRZLBXDXIO-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)-3-propylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 212.07164 Da
Monoisotopic Mass: 3.1
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]+	213.07892	145.6
[M+Na]+	235.06086	157.3
[M+NH4]+	230.10546	153.9
[M+K]+	251.03480	150.2
[M-H]-	211.06436	148.5
[M+Na-2H]-	233.04631	152.3
[M]+	212.07109	148.2
[M]-	212.07219	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe