CID 421251

Sodium thiophene-2-sulfinate

Structural Information

Molecular Formula
C4H4O2S2
SMILES
C1=CSC(=C1)S(=O)O
InChI
InChI=1S/C4H4O2S2/c5-8(6)4-2-1-3-7-4/h1-3H,(H,5,6)
InChIKey
AUPDIWFBUOVUGO-UHFFFAOYSA-N
Compound name
thiophene-2-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

216
Patents

147.96527 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.972546 125.6
[M+Na]+ 170.954488 135.1
[M-H]- 146.957994 128.6
[M+NH4]+ 165.999093 148.6
[M+K]+ 186.928428 132.3
[M+H-H2O]+ 130.962530 121.3
[M+HCOO]- 192.963471 139.5
[M+CH3COO]- 206.979121 166.9
[M+Na-2H]- 168.939936 126.5
[M]+ 147.96472142 127.3
[M]- 147.96581858 127.3
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

patents stripe