CID 1550384

Nsc671382

Structural Information

Molecular Formula
C9H6N2O2S
SMILES
C1=CC=C(C=C1)N2C(=O)C(=O)NC2=S
InChI
InChI=1S/C9H6N2O2S/c12-7-8(13)11(9(14)10-7)6-4-2-1-3-5-6/h1-5H,(H,10,12,14)
InChIKey
URRIADZIXILTHY-UHFFFAOYSA-N
Compound name
1-phenyl-2-sulfanylideneimidazolidine-4,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

206.015 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02228 142.2
[M+Na]+ 229.00422 152.5
[M-H]- 205.00772 145.9
[M+NH4]+ 224.04882 160.4
[M+K]+ 244.97816 147.7
[M+H-H2O]+ 189.01226 135.8
[M+HCOO]- 251.01320 158.0
[M+CH3COO]- 265.02885 179.2
[M+Na-2H]- 226.98967 142.4
[M]+ 206.01445 141.0
[M]- 206.01555 141.0
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.