CID 71312367

181629-03-8

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]+ 483.29125 214.3
[M+Na]+ 505.27319 212.2
[M-H]- 481.27669 209.1
[M+NH4]+ 500.31779 223.0
[M+K]+ 521.24713 204.5
[M+H-H2O]+ 465.28123 203.1
[M+HCOO]- 527.28217 217.0
[M+CH3COO]- 541.29782 242.3
[M+Na-2H]- 503.25864 202.6
[M]+ 482.28342 222.6
[M]- 482.28452 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.