CID 95476

2000-40-0

Structural Information

Molecular Formula

C₃H₅Cl₃N₂O₂

SMILES

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

InChI

InChI=1S/C3H5Cl3N2O2/c4-3(5,6)1(9)8-2(7)10/h1,9H,(H3,7,8,10)

InChIKey

VPENXVZFNXARIV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 205.94167 Da
Monoisotopic Mass: 0.3
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]+	206.94895	136.8
[M+Na]+	228.93089	144.5
[M-H]-	204.93439	134.5
[M+NH4]+	223.97549	155.4
[M+K]+	244.90483	140.3
[M+H-H2O]+	188.93893	135.7
[M+HCOO]-	250.93987	144.0
[M+CH3COO]-	264.95552	182.9
[M+Na-2H]-	226.91634	140.2
[M]+	205.94112	135.5
[M]-	205.94222	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe