CID 8313

Dicloralurea

Structural Information

Molecular Formula

C₅H₆Cl₆N₂O₃

SMILES

C(C(Cl)(Cl)Cl)(NC(=O)NC(C(Cl)(Cl)Cl)O)O

InChI

InChI=1S/C5H6Cl6N2O3/c6-4(7,8)1(14)12-3(16)13-2(15)5(9,10)11/h1-2,14-15H,(H2,12,13,16)

InChIKey

PPJXIHLNYDVTDI-UHFFFAOYSA-N

Compound name

1,3-bis(2,2,2-trichloro-1-hydroxyethyl)urea

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 11
References: 4752
Patents: 351.85095 Da
Monoisotopic Mass: 2.0
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]+	352.85823	180.2
[M+Na]+	374.84017	186.2
[M+NH4]+	369.88477	183.8
[M+K]+	390.81411	182.6
[M-H]-	350.84367	175.4
[M+Na-2H]-	372.82562	179.4
[M]+	351.85040	180.6
[M]-	351.85150	180.6

Literature stripe

literature stripe

Patent stripe

patents stripe