CID 514879

83642-22-2

Structural Information

Molecular Formula
C15H14O4S
SMILES
CC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)C
InChI
InChI=1S/C15H14O4S/c1-11(16)12-3-5-13(6-4-12)19-14-7-9-15(10-8-14)20(2,17)18/h3-10H,1-2H3
InChIKey
CUDIIGGMJHXZLC-UHFFFAOYSA-N
Compound name
1-[4-(4-methylsulfonylphenoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

290.06128 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.06856 162.8
[M+Na]+ 313.05050 171.4
[M-H]- 289.05400 170.2
[M+NH4]+ 308.09510 178.7
[M+K]+ 329.02444 167.9
[M+H-H2O]+ 273.05854 155.7
[M+HCOO]- 335.05948 180.6
[M+CH3COO]- 349.07513 198.1
[M+Na-2H]- 311.03595 165.9
[M]+ 290.06073 167.7
[M]- 290.06183 167.7
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