CID 3058867

Brn 4514039

Structural Information

Molecular Formula
C11H6N2O5S
SMILES
C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CC=C(O2)C#N
InChI
InChI=1S/C11H6N2O5S/c12-7-9-3-6-11(18-9)19(16,17)10-4-1-8(2-5-10)13(14)15/h1-6H
InChIKey
DLWOIIRIGKRTMK-UHFFFAOYSA-N
Compound name
5-(4-nitrophenyl)sulfonylfuran-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.99976 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.00704 153.3
[M+Na]+ 300.98898 164.9
[M+NH4]+ 296.03358 156.7
[M+K]+ 316.96292 160.0
[M-H]- 276.99248 149.9
[M+Na-2H]- 298.97443 156.7
[M]+ 277.99921 153.4
[M]- 278.00031 153.4
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.