CID 131009708

Sodium 5-cyanothiophene-2-sulfinate

Structural Information

Molecular Formula
C5H3NO2S2
SMILES
C1=C(SC(=C1)S(=O)O)C#N
InChI
InChI=1S/C5H3NO2S2/c6-3-4-1-2-5(9-4)10(7)8/h1-2H,(H,7,8)
InChIKey
UEMMJAKJWVLQKT-UHFFFAOYSA-N
Compound name
5-cyanothiophene-2-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.96053 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.96781 142.0
[M+Na]+ 195.94975 154.1
[M-H]- 171.95325 146.0
[M+NH4]+ 190.99435 162.3
[M+K]+ 211.92369 151.1
[M+H-H2O]+ 155.95779 131.1
[M+HCOO]- 217.95873 152.6
[M+CH3COO]- 231.97438 185.2
[M+Na-2H]- 193.93520 141.9
[M]+ 172.95998 139.5
[M]- 172.96108 139.5
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.