CID 3061385

79100-72-4

Structural Information

Molecular Formula
C9H21PS3
SMILES
CCCSP(=S)(CC)SC(C)(C)C
InChI
InChI=1S/C9H21PS3/c1-6-8-12-10(11,7-2)13-9(3,4)5/h6-8H2,1-5H3
InChIKey
BYAVTTOXNJWGKC-UHFFFAOYSA-N
Compound name
tert-butylsulfanyl-ethyl-propylsulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

256.0543 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.06158 153.4
[M+Na]+ 279.04352 159.1
[M-H]- 255.04702 151.4
[M+NH4]+ 274.08812 171.3
[M+K]+ 295.01746 153.5
[M+H-H2O]+ 239.05156 144.9
[M+HCOO]- 301.05250 162.1
[M+CH3COO]- 315.06815 196.6
[M+Na-2H]- 277.02897 149.9
[M]+ 256.05375 156.2
[M]- 256.05485 156.2
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