CID 28904

18137-09-2

Structural Information

Molecular Formula
C4H7NO2S3
SMILES
CCSC1=NS(=O)(=O)CS1
InChI
InChI=1S/C4H7NO2S3/c1-2-8-4-5-10(6,7)3-9-4/h2-3H2,1H3
InChIKey
MXMIQPYJDRYAAU-UHFFFAOYSA-N
Compound name
3-ethylsulfanyl-1,4,2-dithiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.9639 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.97118 134.5
[M+Na]+ 219.95312 145.2
[M-H]- 195.95662 136.6
[M+NH4]+ 214.99772 156.6
[M+K]+ 235.92706 140.9
[M+H-H2O]+ 179.96116 130.6
[M+HCOO]- 241.96210 142.3
[M+CH3COO]- 255.97775 177.0
[M+Na-2H]- 217.93857 135.6
[M]+ 196.96335 137.1
[M]- 196.96445 137.1
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.