CID 3058891

75745-84-5

Structural Information

Molecular Formula
C17H11ClN2O3S
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CC=C(O3)S(=O)(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H11ClN2O3S/c18-11-5-7-12(8-6-11)24(21,22)16-10-9-15(23-16)17-19-13-3-1-2-4-14(13)20-17/h1-10H,(H,19,20)
InChIKey
ZGCLJDCHOFTVLA-UHFFFAOYSA-N
Compound name
2-[5-(4-chlorophenyl)sulfonylfuran-2-yl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.01788 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.02516 181.1
[M+Na]+ 381.00710 194.5
[M-H]- 357.01060 191.0
[M+NH4]+ 376.05170 195.7
[M+K]+ 396.98104 188.6
[M+H-H2O]+ 341.01514 175.1
[M+HCOO]- 403.01608 193.9
[M+CH3COO]- 417.03173 193.5
[M+Na-2H]- 378.99255 183.6
[M]+ 358.01733 188.6
[M]- 358.01843 188.6
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.