CID 3353079

136757-14-7

Structural Information

Molecular Formula

C₇H₅Cl₃N₂O

SMILES

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

InChI

InChI=1S/C7H5Cl3N2O/c8-3-1-4(9)6(5(10)2-3)12-7(11)13/h1-2H,(H3,11,12,13)

InChIKey

PODOAIWAYUVDEF-UHFFFAOYSA-N

Compound name

(2,4,6-trichlorophenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 237.94675 Da
Monoisotopic Mass: 2.4
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]+	238.95403	145.6
[M+Na]+	260.93597	155.9
[M-H]-	236.93947	147.7
[M+NH4]+	255.98057	164.2
[M+K]+	276.90991	150.1
[M+H-H2O]+	220.94401	142.9
[M+HCOO]-	282.94495	156.5
[M+CH3COO]-	296.96060	193.1
[M+Na-2H]-	258.92142	148.4
[M]+	237.94620	146.7
[M]-	237.94730	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe