CID 511936

Schembl11206981

Structural Information

Molecular Formula
C19H15NO4S
SMILES
CS(=O)(=O)C1=CC=CC(=N1)OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H15NO4S/c1-25(22,23)18-9-5-8-17(20-18)24-16-12-10-15(11-13-16)19(21)14-6-3-2-4-7-14/h2-13H,1H3
InChIKey
OYSAGIPAWXBNLI-UHFFFAOYSA-N
Compound name
[4-(6-methylsulfonylpyridin-2-yl)oxyphenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

353.07217 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.07945 180.9
[M+Na]+ 376.06139 189.0
[M-H]- 352.06489 189.6
[M+NH4]+ 371.10599 192.1
[M+K]+ 392.03533 183.9
[M+H-H2O]+ 336.06943 171.5
[M+HCOO]- 398.07037 197.3
[M+CH3COO]- 412.08602 208.8
[M+Na-2H]- 374.04684 184.6
[M]+ 353.07162 184.7
[M]- 353.07272 184.7
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