CID 4271571

4'-methoxy-2-(phenylsulfonyl)acetophenone

Structural Information

Molecular Formula
C15H14O4S
SMILES
COC1=CC=C(C=C1)C(=O)CS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H14O4S/c1-19-13-9-7-12(8-10-13)15(16)11-20(17,18)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKey
ZVVAUSXHYOKZSR-UHFFFAOYSA-N
Compound name
2-(benzenesulfonyl)-1-(4-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

290.06128 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.06856 163.7
[M+Na]+ 313.05050 171.4
[M-H]- 289.05400 170.6
[M+NH4]+ 308.09510 179.2
[M+K]+ 329.02444 167.8
[M+H-H2O]+ 273.05854 156.4
[M+HCOO]- 335.05948 181.4
[M+CH3COO]- 349.07513 196.9
[M+Na-2H]- 311.03595 167.4
[M]+ 290.06073 168.2
[M]- 290.06183 168.2
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