CID 21115344

Qgdalkkazazwqz-uhfffaoysa-n

Structural Information

Molecular Formula
C4H5N3O4S
SMILES
C1C=C(SC1(N)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C4H5N3O4S/c5-4(7(10)11)2-1-3(12-4)6(8)9/h1H,2,5H2
InChIKey
QGDALKKAZAZWQZ-UHFFFAOYSA-N
Compound name
2,5-dinitro-3H-thiophen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.00008 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.007356 134.5
[M+Na]+ 213.989298 140.2
[M-H]- 189.992804 137.6
[M+NH4]+ 209.033903 154.6
[M+K]+ 229.963238 130.8
[M+H-H2O]+ 173.997340 138.4
[M+HCOO]- 235.998281 155.8
[M+CH3COO]- 250.013931 169.1
[M+Na-2H]- 211.974746 141.9
[M]+ 190.99953142 129.1
[M]- 191.00062858 129.1
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.