CID 598246

4282-34-2

Structural Information

Molecular Formula
C8H8O4S
SMILES
COC(=O)C1=CC=C(S1)C(=O)OC
InChI
InChI=1S/C8H8O4S/c1-11-7(9)5-3-4-6(13-5)8(10)12-2/h3-4H,1-2H3
InChIKey
CYUGNCLRGFKPAE-UHFFFAOYSA-N
Compound name
dimethyl thiophene-2,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

200.01433 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.02161 142.6
[M+Na]+ 223.00355 151.9
[M+NH4]+ 218.04815 149.9
[M+K]+ 238.97749 147.9
[M-H]- 199.00705 142.3
[M+Na-2H]- 220.98900 145.6
[M]+ 200.01378 144.0
[M]- 200.01488 144.0
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