CID 81539

7095-27-4

Structural Information

Molecular Formula
C6H12Cl3PS3
SMILES
C(CCl)SP(SCCCl)SCCCl
InChI
InChI=1S/C6H12Cl3PS3/c7-1-4-11-10(12-5-2-8)13-6-3-9/h1-6H2
InChIKey
BFURYTVGKFDZQH-UHFFFAOYSA-N
Compound name
tris(2-chloroethylsulfanyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.89044 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.89772 145.7
[M+Na]+ 338.87966 151.7
[M-H]- 314.88316 144.1
[M+NH4]+ 333.92426 162.4
[M+K]+ 354.85360 144.4
[M+H-H2O]+ 298.88770 141.5
[M+HCOO]- 360.88864 143.3
[M+CH3COO]- 374.90429 202.3
[M+Na-2H]- 336.86511 140.5
[M]+ 315.88989 150.1
[M]- 315.89099 150.1
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.