CID 76176

2899-02-7

Structural Information

Molecular Formula

C₁₃H₄Cl₈N₂O

SMILES

C1=C(C=C(C(=C1Cl)N(C(=O)N(C2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl

InChI

InChI=1S/C13H4Cl8N2O/c14-5-1-7(16)11(8(17)2-5)22(20)13(24)23(21)12-9(18)3-6(15)4-10(12)19/h1-4H

InChIKey

PQPYGYHIBMHXPC-UHFFFAOYSA-N

Compound name

1,3-dichloro-1,3-bis(2,4,6-trichlorophenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 20
Patents: 483.78317 Da
Monoisotopic Mass: 7.9
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]+	484.79045	218.9
[M+Na]+	506.77239	229.3
[M+NH4]+	501.81699	223.3
[M+K]+	522.74633	220.2
[M-H]-	482.77589	219.1
[M+Na-2H]-	504.75784	220.3
[M]+	483.78262	221.8
[M]-	483.78372	221.8

Literature stripe

literature stripe

Patent stripe

patents stripe