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]+ 175.983446 130.8
[M+Na]+ 197.965388 141.3
[M-H]- 173.968894 136.2
[M+NH4]+ 193.009993 155.7
[M+K]+ 213.939328 138.0
[M+H-H2O]+ 157.973430 126.6
[M+HCOO]- 219.974371 148.1
[M+CH3COO]- 233.990021 176.6
[M+Na-2H]- 195.950836 133.8
[M]+ 174.97562142 133.5
[M]- 174.97671858 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.