CID 467884

Chembl355230

Structural Information

Molecular Formula

C₁₁H₁₁BrCl₂N₂O₃

SMILES

C1=CC(=C(C2=C1N(C(=N2)Br)COC(CO)CO)Cl)Cl

InChI

InChI=1S/C11H11BrCl2N2O3/c12-11-15-10-8(2-1-7(13)9(10)14)16(11)5-19-6(3-17)4-18/h1-2,6,17-18H,3-5H2

InChIKey

SCVGDYXDPJQUFF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 367.933 Da
Monoisotopic Mass: 2.3
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]+	368.940276	164.4
[M+Na]+	390.922218	179.5
[M-H]-	366.925724	167.1
[M+NH4]+	385.966823	181.8
[M+K]+	406.896158	165.3
[M+H-H2O]+	350.930260	165.1
[M+HCOO]-	412.931201	172.9
[M+CH3COO]-	426.946851	203.6
[M+Na-2H]-	388.907666	168.6
[M]+	367.93245142	189.2
[M]-	367.93354858	189.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.