CID 5892939

Nsc249303

Structural Information

Molecular Formula
C12H8N2O4S
SMILES
C1=CSC(=C1)/C=C/C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H8N2O4S/c15-13(16)10-5-3-9(12(8-10)14(17)18)4-6-11-2-1-7-19-11/h1-8H/b6-4+
InChIKey
YBAXMZWUGOEWPM-GQCTYLIASA-N
Compound name
2-[(E)-2-(2,4-dinitrophenyl)ethenyl]thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

276.02048 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.02776 160.4
[M+Na]+ 299.00970 173.2
[M+NH4]+ 294.05430 168.2
[M+K]+ 314.98364 171.4
[M-H]- 275.01320 166.0
[M+Na-2H]- 296.99515 166.6
[M]+ 276.01993 163.9
[M]- 276.02103 163.9
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

patents stripe