CID 3058865

Brn 4496682

Structural Information

Molecular Formula
C11H5Cl2NO3S
SMILES
C1=CC(=C(C=C1S(=O)(=O)C2=CC=C(O2)C#N)Cl)Cl
InChI
InChI=1S/C11H5Cl2NO3S/c12-9-3-2-8(5-10(9)13)18(15,16)11-4-1-7(6-14)17-11/h1-5H
InChIKey
CCMWOGBSFVVVRL-UHFFFAOYSA-N
Compound name
5-(3,4-dichlorophenyl)sulfonylfuran-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.9367 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.94398 171.8
[M+Na]+ 323.92592 186.7
[M-H]- 299.92942 179.5
[M+NH4]+ 318.97052 188.1
[M+K]+ 339.89986 180.7
[M+H-H2O]+ 283.93396 161.3
[M+HCOO]- 345.93490 179.3
[M+CH3COO]- 359.95055 205.3
[M+Na-2H]- 321.91137 173.3
[M]+ 300.93615 174.0
[M]- 300.93725 174.0
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.