CID 73556706

71889-07-1

Structural Information

Molecular Formula
C17H34Cl3O2PS3
SMILES
CCCCC(CC)COP(=S)(OCC(CC)CCCC)SSC(Cl)(Cl)Cl
InChI
InChI=1S/C17H34Cl3O2PS3/c1-5-9-11-15(7-3)13-21-23(24,26-25-17(18,19)20)22-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3
InChIKey
KCDYJNZBSWVJET-UHFFFAOYSA-N
Compound name
bis(2-ethylhexoxy)-sulfanylidene-(trichloromethyldisulfanyl)-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.05243 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.05971 198.9
[M+Na]+ 525.04165 200.4
[M-H]- 501.04515 196.2
[M+NH4]+ 520.08625 208.9
[M+K]+ 541.01559 192.2
[M+H-H2O]+ 485.04969 193.1
[M+HCOO]- 547.05063 191.1
[M+CH3COO]- 561.06628 234.3
[M+Na-2H]- 523.02710 192.1
[M]+ 502.05188 207.7
[M]- 502.05298 207.7
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.