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 147.9
[M+Na]+ 259.00355 158.3
[M-H]- 235.00705 156.5
[M+NH4]+ 254.04815 166.7
[M+K]+ 274.97749 156.3
[M+H-H2O]+ 219.01159 142.6
[M+HCOO]- 281.01253 168.3
[M+CH3COO]- 295.02818 184.0
[M+Na-2H]- 256.98900 153.0
[M]+ 236.01378 153.2
[M]- 236.01488 153.2
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

patents stripe