CID 11218904

144888-17-5

Structural Information

Molecular Formula
C12H10O4S
SMILES
C1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC=CO2
InChI
InChI=1S/C12H10O4S/c13-11(12-7-4-8-16-12)9-17(14,15)10-5-2-1-3-6-10/h1-8H,9H2
InChIKey
CIXBMSHSSORJIT-UHFFFAOYSA-N
Compound name
2-(benzenesulfonyl)-1-(furan-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.02998 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.03726 152.9
[M+Na]+ 273.01920 164.5
[M+NH4]+ 268.06380 160.3
[M+K]+ 288.99314 159.6
[M-H]- 249.02270 156.0
[M+Na-2H]- 271.00465 159.3
[M]+ 250.02943 155.9
[M]- 250.03053 155.9
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.