CID 55250817

2-phenyl-1,2,5-thiadiazolidine-1,1-dione

Structural Information

Molecular Formula
C8H10N2O2S
SMILES
C1CN(S(=O)(=O)N1)C2=CC=CC=C2
InChI
InChI=1S/C8H10N2O2S/c11-13(12)9-6-7-10(13)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
ZRGOCIFRPCUCBS-UHFFFAOYSA-N
Compound name
2-phenyl-1,2,5-thiadiazolidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

198.0463 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.053576 138.9
[M+Na]+ 221.035518 148.5
[M-H]- 197.039024 142.3
[M+NH4]+ 216.080123 159.1
[M+K]+ 237.009458 144.9
[M+H-H2O]+ 181.043560 132.7
[M+HCOO]- 243.044501 155.0
[M+CH3COO]- 257.060151 151.8
[M+Na-2H]- 219.020966 142.4
[M]+ 198.04575142 137.7
[M]- 198.04684858 137.7
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