CID 54051871

1-(6-hydroxy-3,4-dichlorophenyl)urea

Structural Information

Molecular Formula

C₇H₆Cl₂N₂O₂

SMILES

C1=C(C(=CC(=C1Cl)Cl)O)NC(=O)N

InChI

InChI=1S/C7H6Cl2N2O2/c8-3-1-5(11-7(10)13)6(12)2-4(3)9/h1-2,12H,(H3,10,11,13)

InChIKey

LTLMFUVNODZCNC-UHFFFAOYSA-N

Compound name

(4,5-dichloro-2-hydroxyphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 219.98064 Da
Monoisotopic Mass: 1.4
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]+	220.98792	140.6
[M+Na]+	242.96986	152.8
[M+NH4]+	238.01446	148.3
[M+K]+	258.94380	147.3
[M-H]-	218.97336	142.3
[M+Na-2H]-	240.95531	146.1
[M]+	219.98009	143.1
[M]-	219.98119	143.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.