CID 6371710

1,2-bis(phenylsulfinyl)ethane palladium(ii) diacetate

Structural Information

Molecular Formula
C14H14O2S2
SMILES
C1=CC=C(C=C1)S(=O)CCS(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H14O2S2/c15-17(13-7-3-1-4-8-13)11-12-18(16)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
CSZMCUCIIIAHQD-UHFFFAOYSA-N
Compound name
2-(benzenesulfinyl)ethylsulfinylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

653
Patents

278.04352 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.05080 159.2
[M+Na]+ 301.03274 166.0
[M-H]- 277.03624 165.3
[M+NH4]+ 296.07734 175.3
[M+K]+ 317.00668 160.5
[M+H-H2O]+ 261.04078 152.1
[M+HCOO]- 323.04172 171.6
[M+CH3COO]- 337.05737 194.6
[M+Na-2H]- 299.01819 160.2
[M]+ 278.04297 161.5
[M]- 278.04407 161.5
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