CID 4062073

1-allyl-3-(3,5-dichlorophenyl)urea

Structural Information

Molecular Formula

C₁₀H₁₀Cl₂N₂O

SMILES

C=CCNC(=O)NC1=CC(=CC(=C1)Cl)Cl

InChI

InChI=1S/C10H10Cl2N2O/c1-2-3-13-10(15)14-9-5-7(11)4-8(12)6-9/h2,4-6H,1,3H2,(H2,13,14,15)

InChIKey

YKCKWOQEAZKDJC-UHFFFAOYSA-N

Compound name

1-(3,5-dichlorophenyl)-3-prop-2-enylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 244.01701 Da
Monoisotopic Mass: 2.8
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]+	245.024286	151.8
[M+Na]+	267.006228	160.5
[M-H]-	243.009734	154.9
[M+NH4]+	262.050833	170.3
[M+K]+	282.980168	154.5
[M+H-H2O]+	227.014270	147.4
[M+HCOO]-	289.015211	168.0
[M+CH3COO]-	303.030861	194.6
[M+Na-2H]-	264.991676	155.8
[M]+	244.01646142	153.7
[M]-	244.01755858	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe