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]+ 175.005946 130.5
[M+Na]+ 196.987888 141.4
[M-H]- 172.991394 136.1
[M+NH4]+ 192.032493 152.1
[M+K]+ 212.961828 141.0
[M+H-H2O]+ 156.995930 126.5
[M+HCOO]- 218.996871 150.7
[M+CH3COO]- 233.012521 173.2
[M+Na-2H]- 194.973336 135.9
[M]+ 173.99812142 136.4
[M]- 173.99921858 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.