CID 76949

2-(phenylsulfonyl)acetophenone

Structural Information

Molecular Formula
C14H12O3S
SMILES
C1=CC=C(C=C1)C(=O)CS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H12O3S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h1-10H,11H2
InChIKey
DREVPGKOIZVPQV-UHFFFAOYSA-N
Compound name
2-(benzenesulfonyl)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1233
Patents

260.05072 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05800 156.0
[M+Na]+ 283.03994 169.4
[M+NH4]+ 278.08454 164.1
[M+K]+ 299.01388 160.9
[M-H]- 259.04344 159.3
[M+Na-2H]- 281.02539 165.0
[M]+ 260.05017 159.4
[M]- 260.05127 159.4
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