CID 3057410

Tris(p-methylthiophenyl)phosphine sulfide

Structural Information

Molecular Formula
C21H21PS4
SMILES
CSC1=CC=C(C=C1)P(C2=CC=C(C=C2)SC)C3=CC=C(C=C3)S(=S)C
InChI
InChI=1S/C21H21PS4/c1-24-19-10-4-16(5-11-19)22(17-6-12-20(25-2)13-7-17)18-8-14-21(15-9-18)26(3)23/h4-15H,1-3H3
InChIKey
WZPYANBMTHWQIB-UHFFFAOYSA-N
Compound name
bis(4-methylsulfanylphenyl)-(4-methylsulfinothioylphenyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.02637 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.03365 182.3
[M+Na]+ 455.01559 188.8
[M-H]- 431.01909 187.6
[M+NH4]+ 450.06019 192.5
[M+K]+ 470.98953 177.4
[M+H-H2O]+ 415.02363 171.7
[M+HCOO]- 477.02457 187.8
[M+CH3COO]- 491.04022 189.5
[M+Na-2H]- 453.00104 178.0
[M]+ 432.02582 180.6
[M]- 432.02692 180.6
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.