CID 1201546

Rhodanine

Structural Information

Molecular Formula
C3H3NOS2
SMILES
C1C(=O)NC(=S)S1
InChI
InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
InChIKey
KIWUVOGUEXMXSV-UHFFFAOYSA-N
Compound name
2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

592
References

20197
Patents

132.9656 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.97288 122.4
[M+Na]+ 155.95482 132.0
[M-H]- 131.95832 123.7
[M+NH4]+ 150.99942 144.9
[M+K]+ 171.92876 128.4
[M+H-H2O]+ 115.96286 118.0
[M+HCOO]- 177.96380 133.6
[M+CH3COO]- 191.97945 164.6
[M+Na-2H]- 153.94027 122.1
[M]+ 132.96505 120.4
[M]- 132.96615 120.4
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