CID 3746877

3-[(4-chlorophenyl)sulfonyl]-1-(2-naphthyl)-1-propanone

Structural Information

Molecular Formula
C19H15ClO3S
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H15ClO3S/c20-17-7-9-18(10-8-17)24(22,23)12-11-19(21)16-6-5-14-3-1-2-4-15(14)13-16/h1-10,13H,11-12H2
InChIKey
SJPUEXLVKLGYQL-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)sulfonyl-1-naphthalen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.04303 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.05031 179.5
[M+Na]+ 381.03225 188.6
[M-H]- 357.03575 187.3
[M+NH4]+ 376.07685 194.5
[M+K]+ 397.00619 181.8
[M+H-H2O]+ 341.04029 172.8
[M+HCOO]- 403.04123 191.1
[M+CH3COO]- 417.05688 209.3
[M+Na-2H]- 379.01770 183.6
[M]+ 358.04248 185.5
[M]- 358.04358 185.5
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.