CID 11218904

1-(2-furyl)-2-(phenylsulfonyl)ethanone

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 153.2
[M+Na]+ 273.01920 161.8
[M-H]- 249.02270 161.3
[M+NH4]+ 268.06380 171.0
[M+K]+ 288.99314 160.2
[M+H-H2O]+ 233.02724 147.5
[M+HCOO]- 295.02818 172.2
[M+CH3COO]- 309.04383 186.7
[M+Na-2H]- 271.00465 157.4
[M]+ 250.02943 157.8
[M]- 250.03053 157.8
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.