CID 3058892

75745-85-6

Structural Information

Molecular Formula
C17H10Cl2N2O3S
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CC=C(O3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C17H10Cl2N2O3S/c18-11-6-5-10(9-12(11)19)25(22,23)16-8-7-15(24-16)17-20-13-3-1-2-4-14(13)21-17/h1-9H,(H,20,21)
InChIKey
MNVSVQKLUAAHPL-UHFFFAOYSA-N
Compound name
2-[5-(3,4-dichlorophenyl)sulfonylfuran-2-yl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.9789 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.98618 188.7
[M+Na]+ 414.96812 202.8
[M-H]- 390.97162 198.1
[M+NH4]+ 410.01272 202.5
[M+K]+ 430.94206 196.3
[M+H-H2O]+ 374.97616 183.0
[M+HCOO]- 436.97710 196.1
[M+CH3COO]- 450.99275 200.4
[M+Na-2H]- 412.95357 189.6
[M]+ 391.97835 197.6
[M]- 391.97945 197.6
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.