CID 284440

Schembl3162459

Structural Information

Molecular Formula
C20H16O2S
SMILES
C1=CC=C(C=C1)C=C(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H16O2S/c21-23(22,19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-16H
InChIKey
KCOPDPJFQYVZBV-UHFFFAOYSA-N
Compound name
[2-(benzenesulfonyl)-2-phenylethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

320.0871 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09438 174.8
[M+Na]+ 343.07632 181.5
[M-H]- 319.07982 184.2
[M+NH4]+ 338.12092 188.6
[M+K]+ 359.05026 175.0
[M+H-H2O]+ 303.08436 166.3
[M+HCOO]- 365.08530 192.0
[M+CH3COO]- 379.10095 202.1
[M+Na-2H]- 341.06177 178.9
[M]+ 320.08655 175.0
[M]- 320.08765 175.0
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