CID 98726

Urea, 1-benzyl-3-(2-chloroethyl)-

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O

SMILES

C1=CC=C(C=C1)CNC(=O)NCCCl

InChI

InChI=1S/C10H13ClN2O/c11-6-7-12-10(14)13-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,12,13,14)

InChIKey

CNQHZLLOIIQGKB-UHFFFAOYSA-N

Compound name

1-benzyl-3-(2-chloroethyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 212.07164 Da
Monoisotopic Mass: 1.1
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	145.9
[M+Na]+	235.06086	157.1
[M+NH4]+	230.10546	154.2
[M+K]+	251.03480	149.9
[M-H]-	211.06436	148.7
[M+Na-2H]-	233.04631	152.8
[M]+	212.07109	148.3
[M]-	212.07219	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe