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 165.5
[M+Na]+ 289.96490 179.5
[M-H]- 265.96840 173.3
[M+NH4]+ 285.00950 182.4
[M+K]+ 305.93884 174.5
[M+H-H2O]+ 249.97294 154.0
[M+HCOO]- 311.97388 177.5
[M+CH3COO]- 325.98953 200.2
[M+Na-2H]- 287.95035 168.2
[M]+ 266.97513 166.4
[M]- 266.97623 166.4
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.