CID 3058887

Brn 4504182

Structural Information

Molecular Formula

C₁₃H₁₁ClN₂O₃S

SMILES

C1CN=C(N1)C2=CC=C(O2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H11ClN2O3S/c14-9-1-3-10(4-2-9)20(17,18)12-6-5-11(19-12)13-15-7-8-16-13/h1-6H,7-8H2,(H,15,16)

InChIKey

UUXBGWTZVOAUBC-UHFFFAOYSA-N

Compound name

2-[5-(4-chlorophenyl)sulfonylfuran-2-yl]-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 310.01788 Da
Monoisotopic Mass: 2.0
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]+	311.025156	168.3
[M+Na]+	333.007098	179.0
[M-H]-	309.010604	176.4
[M+NH4]+	328.051703	183.4
[M+K]+	348.981038	174.5
[M+H-H2O]+	293.015140	162.3
[M+HCOO]-	355.016081	179.7
[M+CH3COO]-	369.031731	180.4
[M+Na-2H]-	330.992546	168.9
[M]+	310.01733142	172.0
[M]-	310.01842858	172.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.