CID 670478

4-(5-formylfuran-2-yl)benzene-1-sulfonamide

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

68
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 152.2
[M+Na]+ 274.01444 162.3
[M-H]- 250.01794 160.5
[M+NH4]+ 269.05904 170.0
[M+K]+ 289.98838 159.7
[M+H-H2O]+ 234.02248 146.5
[M+HCOO]- 296.02342 172.8
[M+CH3COO]- 310.03907 189.6
[M+Na-2H]- 271.99989 156.4
[M]+ 251.02467 156.1
[M]- 251.02577 156.1
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