CID 167731715

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

Structural Information

Molecular Formula
C7H10O3S2
SMILES
CC(C1=CC=C(S1)S(=O)O)OC
InChI
InChI=1S/C7H10O3S2/c1-5(10-2)6-3-4-7(11-6)12(8)9/h3-5H,1-2H3,(H,8,9)
InChIKey
URIVYIUFCIQLKW-UHFFFAOYSA-N
Compound name
5-(1-methoxyethyl)thiophene-2-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.00714 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.01442 141.6
[M+Na]+ 228.99636 149.9
[M-H]- 204.99986 144.3
[M+NH4]+ 224.04096 162.3
[M+K]+ 244.97030 147.2
[M+H-H2O]+ 189.00440 136.8
[M+HCOO]- 251.00534 153.6
[M+CH3COO]- 265.02099 179.6
[M+Na-2H]- 226.98181 139.8
[M]+ 206.00659 145.6
[M]- 206.00769 145.6
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.