CID 12465445

2-((2,4-dinitrophenyl)sulfonyl)furan

Structural Information

Molecular Formula
C10H6N2O7S
SMILES
C1=COC(=C1)S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H6N2O7S/c13-11(14)7-3-4-9(8(6-7)12(15)16)20(17,18)10-2-1-5-19-10/h1-6H
InChIKey
QRRXSVSPTGGQLW-UHFFFAOYSA-N
Compound name
2-(2,4-dinitrophenyl)sulfonylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.98956 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.99684 163.8
[M+Na]+ 320.97878 169.7
[M-H]- 296.98228 171.8
[M+NH4]+ 316.02338 176.8
[M+K]+ 336.95272 160.0
[M+H-H2O]+ 280.98682 165.8
[M+HCOO]- 342.98776 184.4
[M+CH3COO]- 357.00341 184.6
[M+Na-2H]- 318.96423 173.2
[M]+ 297.98901 163.4
[M]- 297.99011 163.4
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.