CID 511934

Schembl10833920

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

353.07217 Da
Monoisotopic Mass

3.3
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.