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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.02516 168.3
[M+Na]+ 333.00710 179.0
[M-H]- 309.01060 176.4
[M+NH4]+ 328.05170 183.4
[M+K]+ 348.98104 174.5
[M+H-H2O]+ 293.01514 162.3
[M+HCOO]- 355.01608 179.7
[M+CH3COO]- 369.03173 180.4
[M+Na-2H]- 330.99255 168.9
[M]+ 310.01733 172.0
[M]- 310.01843 172.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.