CID 207408

Phosphine, tris(p-methylthiophenyl)-

Structural Information

Molecular Formula
C21H21PS3
SMILES
CSC1=CC=C(C=C1)P(C2=CC=C(C=C2)SC)C3=CC=C(C=C3)SC
InChI
InChI=1S/C21H21PS3/c1-23-19-10-4-16(5-11-19)22(17-6-12-20(24-2)13-7-17)18-8-14-21(25-3)15-9-18/h4-15H,1-3H3
InChIKey
SYRCIUTYFPQGNK-UHFFFAOYSA-N
Compound name
tris(4-methylsulfanylphenyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

400.0543 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.06158 178.8
[M+Na]+ 423.04352 185.9
[M-H]- 399.04702 185.8
[M+NH4]+ 418.08812 191.1
[M+K]+ 439.01746 176.7
[M+H-H2O]+ 383.05156 168.0
[M+HCOO]- 445.05250 191.0
[M+CH3COO]- 459.06815 187.9
[M+Na-2H]- 421.02897 174.4
[M]+ 400.05375 180.6
[M]- 400.05485 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

patents stripe