CID 609810

3-methanesulfonylthiophene-2-carboxylic acid

Structural Information

Molecular Formula
C6H6O4S2
SMILES
CS(=O)(=O)C1=C(SC=C1)C(=O)O
InChI
InChI=1S/C6H6O4S2/c1-12(9,10)4-2-3-11-5(4)6(7)8/h2-3H,1H3,(H,7,8)
InChIKey
PQXRSCJVSJHFCH-UHFFFAOYSA-N
Compound name
3-methylsulfonylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

205.97075 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.97803 144.0
[M+Na]+ 228.95997 152.3
[M+NH4]+ 224.00457 150.9
[M+K]+ 244.93391 147.3
[M-H]- 204.96347 142.7
[M+Na-2H]- 226.94542 145.8
[M]+ 205.97020 145.5
[M]- 205.97130 145.5
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

patents stripe