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]+ 251.037256 153.2
[M+Na]+ 273.019198 161.8
[M-H]- 249.022704 161.3
[M+NH4]+ 268.063803 171.0
[M+K]+ 288.993138 160.2
[M+H-H2O]+ 233.027240 147.5
[M+HCOO]- 295.028181 172.2
[M+CH3COO]- 309.043831 186.7
[M+Na-2H]- 271.004646 157.4
[M]+ 250.02943142 157.8
[M]- 250.03052858 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.