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 134.1
[M+Na]+ 211.00355 145.3
[M-H]- 187.00705 139.8
[M+NH4]+ 206.04815 155.4
[M+K]+ 226.97749 144.7
[M+H-H2O]+ 171.01159 130.2
[M+HCOO]- 233.01253 153.9
[M+CH3COO]- 247.02818 177.4
[M+Na-2H]- 208.98900 138.4
[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.