CID 165994654

Lithium(1+) 5-(2-methoxyethyl)thiophene-2-sulfinate

Structural Information

Molecular Formula
C7H10O3S2
SMILES
COCCC1=CC=C(S1)S(=O)O
InChI
InChI=1S/C7H10O3S2/c1-10-5-4-6-2-3-7(11-6)12(8)9/h2-3H,4-5H2,1H3,(H,8,9)
InChIKey
YADWJAVNURWZNN-UHFFFAOYSA-N
Compound name
5-(2-methoxyethyl)thiophene-2-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.00714 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.01442 141.2
[M+Na]+ 228.99636 149.9
[M-H]- 204.99986 143.9
[M+NH4]+ 224.04096 162.1
[M+K]+ 244.97030 146.7
[M+H-H2O]+ 189.00440 136.4
[M+HCOO]- 251.00534 154.3
[M+CH3COO]- 265.02099 178.8
[M+Na-2H]- 226.98181 140.4
[M]+ 206.00659 145.8
[M]- 206.00769 145.8
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.