CID 82411501

4-methanesulfonylfuran-2-carbaldehyde

Structural Information

Molecular Formula
C6H6O4S
SMILES
CS(=O)(=O)C1=COC(=C1)C=O
InChI
InChI=1S/C6H6O4S/c1-11(8,9)6-2-5(3-7)10-4-6/h2-4H,1H3
InChIKey
IWEXIHNQZGBYNN-UHFFFAOYSA-N
Compound name
4-methylsulfonylfuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.99867 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.00595 130.5
[M+Na]+ 196.98789 141.4
[M-H]- 172.99139 136.1
[M+NH4]+ 192.03249 152.1
[M+K]+ 212.96183 141.0
[M+H-H2O]+ 156.99593 126.5
[M+HCOO]- 218.99687 150.7
[M+CH3COO]- 233.01252 173.2
[M+Na-2H]- 194.97334 135.9
[M]+ 173.99812 136.4
[M]- 173.99922 136.4
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.