CID 16637217

893725-07-0

Structural Information

Molecular Formula
C5H5NO2S2
SMILES
C1C(C=CS1(=O)=O)N=C=S
InChI
InChI=1S/C5H5NO2S2/c7-10(8)2-1-5(3-10)6-4-9/h1-2,5H,3H2
InChIKey
FDGVAEUKGZDPCQ-UHFFFAOYSA-N
Compound name
3-isothiocyanato-2,3-dihydrothiophene 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.97617 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.98345 130.8
[M+Na]+ 197.96539 141.3
[M-H]- 173.96889 136.2
[M+NH4]+ 193.00999 155.7
[M+K]+ 213.93933 138.0
[M+H-H2O]+ 157.97343 126.6
[M+HCOO]- 219.97437 148.1
[M+CH3COO]- 233.99002 176.6
[M+Na-2H]- 195.95084 133.8
[M]+ 174.97562 133.5
[M]- 174.97672 133.5
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.