CID 71312367

S,s,s-tris(2-ethylhexyl) phosphorotrithioate

Structural Information

Molecular Formula
C24H51OPS3
SMILES
CCCCC(CC)CSP(=O)(SCC(CC)CCCC)SCC(CC)CCCC
InChI
InChI=1S/C24H51OPS3/c1-7-13-16-22(10-4)19-27-26(25,28-20-23(11-5)17-14-8-2)29-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
InChIKey
ZYMYBLYKQDZTEH-UHFFFAOYSA-N
Compound name
3-[bis(2-ethylhexylsulfanyl)phosphorylsulfanylmethyl]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

482.28397 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.291246 214.3
[M+Na]+ 505.273188 212.2
[M-H]- 481.276694 209.1
[M+NH4]+ 500.317793 223.0
[M+K]+ 521.247128 204.5
[M+H-H2O]+ 465.281230 203.1
[M+HCOO]- 527.282171 217.0
[M+CH3COO]- 541.297821 242.3
[M+Na-2H]- 503.258636 202.6
[M]+ 482.28342142 222.6
[M]- 482.28451858 222.6
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

No patent data available for this compound.