CID 676852

2-furancarboxaldehyde, 5-(phenylsulfonyl)-

Structural Information

Molecular Formula
C11H8O4S
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O2)C=O
InChI
InChI=1S/C11H8O4S/c12-8-9-6-7-11(15-9)16(13,14)10-4-2-1-3-5-10/h1-8H
InChIKey
TWAKVDWCYBSJDE-UHFFFAOYSA-N
Compound name
5-(benzenesulfonyl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.01433 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.02161 149.0
[M+Na]+ 259.00355 161.5
[M+NH4]+ 254.04815 156.6
[M+K]+ 274.97749 156.2
[M-H]- 235.00705 152.4
[M+Na-2H]- 256.98900 155.6
[M]+ 236.01378 152.2
[M]- 236.01488 152.2
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.