CID 676831

61942-49-2

Structural Information

Molecular Formula
C11H7ClO4S
SMILES
C1=CC(=CC=C1S(=O)(=O)C2=CC=C(O2)C=O)Cl
InChI
InChI=1S/C11H7ClO4S/c12-8-1-4-10(5-2-8)17(14,15)11-6-3-9(7-13)16-11/h1-7H
InChIKey
QUPQXBHYBOKBOC-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)sulfonylfuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.97537 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.98265 154.7
[M+Na]+ 292.96459 166.5
[M-H]- 268.96809 163.8
[M+NH4]+ 288.00919 173.3
[M+K]+ 308.93853 162.9
[M+H-H2O]+ 252.97263 150.3
[M+HCOO]- 314.97357 170.4
[M+CH3COO]- 328.98922 188.9
[M+Na-2H]- 290.95004 158.8
[M]+ 269.97482 162.4
[M]- 269.97592 162.4
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.