CID 670478

21821-40-9

Structural Information

Molecular Formula
C11H9NO4S
SMILES
C1=CC(=CC=C1C2=CC=C(O2)C=O)S(=O)(=O)N
InChI
InChI=1S/C11H9NO4S/c12-17(14,15)10-4-1-8(2-5-10)11-6-3-9(7-13)16-11/h1-7H,(H2,12,14,15)
InChIKey
CTFUCNXKRYTIQE-UHFFFAOYSA-N
Compound name
4-(5-formylfuran-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

67
Patents

251.02522 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.03250 153.4
[M+Na]+ 274.01444 164.6
[M+NH4]+ 269.05904 160.3
[M+K]+ 289.98838 160.2
[M-H]- 250.01794 156.8
[M+Na-2H]- 271.99989 159.1
[M]+ 251.02467 156.3
[M]- 251.02577 156.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe