CID 467863

Chembl169327

Structural Information

Molecular Formula

C₁₁H₁₁Cl₃N₂O₃

SMILES

C1=C2C(=CC(=C1Cl)Cl)N(C(=N2)Cl)COC(CO)CO

InChI

InChI=1S/C11H11Cl3N2O3/c12-7-1-9-10(2-8(7)13)16(11(14)15-9)5-19-6(3-17)4-18/h1-2,6,17-18H,3-5H2

InChIKey

ULJMAMZWWMAORH-UHFFFAOYSA-N

Compound name

2-[(2,5,6-trichlorobenzimidazol-1-yl)methoxy]propane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 323.98352 Da
Monoisotopic Mass: 2.2
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]+	324.990796	161.9
[M+Na]+	346.972738	173.6
[M-H]-	322.976244	160.5
[M+NH4]+	342.017343	177.0
[M+K]+	362.946678	167.3
[M+H-H2O]+	306.980780	157.0
[M+HCOO]-	368.981721	166.6
[M+CH3COO]-	382.997371	199.8
[M+Na-2H]-	344.958186	163.6
[M]+	323.98297142	168.7
[M]-	323.98406858	168.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.