CID 520088

24044-52-8

Structural Information

Molecular Formula
C10H6N2O4S
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C=C2C(=O)NC(=O)S2
InChI
InChI=1S/C10H6N2O4S/c13-9-8(17-10(14)11-9)5-6-2-1-3-7(4-6)12(15)16/h1-5H,(H,11,13,14)
InChIKey
HWOVMANHBOBQRW-UHFFFAOYSA-N
Compound name
5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

46
Patents

250.00482 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01210 152.2
[M+Na]+ 272.99404 159.7
[M-H]- 248.99754 156.8
[M+NH4]+ 268.03864 168.5
[M+K]+ 288.96798 150.9
[M+H-H2O]+ 233.00208 150.2
[M+HCOO]- 295.00302 169.8
[M+CH3COO]- 309.01867 179.7
[M+Na-2H]- 270.97949 154.3
[M]+ 250.00427 148.7
[M]- 250.00537 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe