CID 2772220

3-isocyanato-2,3-dihydrothiophene 1,1-dioxide

Structural Information

Molecular Formula
C5H5NO3S
SMILES
C1C(C=CS1(=O)=O)N=C=O
InChI
InChI=1S/C5H5NO3S/c7-4-6-5-1-2-10(8,9)3-5/h1-2,5H,3H2
InChIKey
VKJXCKZNXWROIV-UHFFFAOYSA-N
Compound name
3-isocyanato-2,3-dihydrothiophene 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

158.99901 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.00629 131.6
[M+Na]+ 181.98823 141.1
[M+NH4]+ 177.03283 140.7
[M+K]+ 197.96217 134.0
[M-H]- 157.99173 132.3
[M+Na-2H]- 179.97368 137.2
[M]+ 158.99846 133.4
[M]- 158.99956 133.4
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

No patent data available for this compound.