CID 3058864

75745-61-8

Structural Information

Molecular Formula
C11H6ClNO3S
SMILES
C1=CC(=CC=C1S(=O)(=O)C2=CC=C(O2)C#N)Cl
InChI
InChI=1S/C11H6ClNO3S/c12-8-1-4-10(5-2-8)17(14,15)11-6-3-9(7-13)16-11/h1-6H
InChIKey
OUDYWPWCRBPOMZ-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)sulfonylfuran-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.97568 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.98296 151.6
[M+Na]+ 289.96490 164.6
[M+NH4]+ 285.00950 156.4
[M+K]+ 305.93884 155.6
[M-H]- 265.96840 147.9
[M+Na-2H]- 287.95035 155.9
[M]+ 266.97513 152.3
[M]- 266.97623 152.3
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.