CID 428002

1,2,4-dithiazolidine-3,5-dione

Structural Information

Molecular Formula
C2HNO2S2
SMILES
C1(=O)NC(=O)SS1
InChI
InChI=1S/C2HNO2S2/c4-1-3-2(5)7-6-1/h(H,3,4,5)
InChIKey
BPVALDZRWMHTCJ-UHFFFAOYSA-N
Compound name
1,2,4-dithiazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

403
Patents

134.94487 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.95215 119.1
[M+Na]+ 157.93409 131.0
[M-H]- 133.93759 121.3
[M+NH4]+ 152.97869 141.6
[M+K]+ 173.90803 127.4
[M+H-H2O]+ 117.94213 114.6
[M+HCOO]- 179.94307 133.6
[M+CH3COO]- 193.95872 163.0
[M+Na-2H]- 155.91954 121.0
[M]+ 134.94432 120.8
[M]- 134.94542 120.8
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