CID 3012557

Chembl186148

Structural Information

Molecular Formula

C₇H₉Cl₃N₂O₃

SMILES

C(C(CO)OCN1C(=C(N=C1Cl)Cl)Cl)O

InChI

InChI=1S/C7H9Cl3N2O3/c8-5-6(9)12(7(10)11-5)3-15-4(1-13)2-14/h4,13-14H,1-3H2

InChIKey

HMRJQDWTFXCIRY-UHFFFAOYSA-N

Compound name

2-[(2,4,5-trichloroimidazol-1-yl)methoxy]propane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 273.96786 Da
Monoisotopic Mass: 1.5
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]+	274.97514	149.7
[M+Na]+	296.95708	159.8
[M-H]-	272.96058	147.0
[M+NH4]+	292.00168	165.3
[M+K]+	312.93102	154.7
[M+H-H2O]+	256.96512	145.1
[M+HCOO]-	318.96606	154.4
[M+CH3COO]-	332.98171	190.0
[M+Na-2H]-	294.94253	150.3
[M]+	273.96731	153.7
[M]-	273.96841	153.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.