CID 131340860

4-methanesulfonyl-5-methylfuran-2-carbaldehyde

Structural Information

Molecular Formula
C7H8O4S
SMILES
CC1=C(C=C(O1)C=O)S(=O)(=O)C
InChI
InChI=1S/C7H8O4S/c1-5-7(12(2,9)10)3-6(4-8)11-5/h3-4H,1-2H3
InChIKey
HSCXITPGXJPYBD-UHFFFAOYSA-N
Compound name
5-methyl-4-methylsulfonylfuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.01433 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02161 138.7
[M+Na]+ 211.00355 149.4
[M+NH4]+ 206.04815 145.7
[M+K]+ 226.97749 145.5
[M-H]- 187.00705 139.4
[M+Na-2H]- 208.98900 141.7
[M]+ 188.01378 140.7
[M]- 188.01488 140.7
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.