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]+ 189.021606 134.1
[M+Na]+ 211.003548 145.3
[M-H]- 187.007054 139.8
[M+NH4]+ 206.048153 155.4
[M+K]+ 226.977488 144.7
[M+H-H2O]+ 171.011590 130.2
[M+HCOO]- 233.012531 153.9
[M+CH3COO]- 247.028181 177.4
[M+Na-2H]- 208.988996 138.4
[M]+ 188.01378142 140.7
[M]- 188.01487858 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.