CID 3085709

72121-82-5

Structural Information

Molecular Formula
C9H18Cl3O2PS3
SMILES
CCCCOP(=S)(OCCCC)SSC(Cl)(Cl)Cl
InChI
InChI=1S/C9H18Cl3O2PS3/c1-3-5-7-13-15(16,14-8-6-4-2)18-17-9(10,11)12/h3-8H2,1-2H3
InChIKey
LOSNKEHQZKLMLR-UHFFFAOYSA-N
Compound name
dibutoxy-sulfanylidene-(trichloromethyldisulfanyl)-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.92722 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.93450 171.4
[M+Na]+ 412.91644 176.6
[M-H]- 388.91994 169.8
[M+NH4]+ 407.96104 185.5
[M+K]+ 428.89038 169.2
[M+H-H2O]+ 372.92448 166.5
[M+HCOO]- 434.92542 167.5
[M+CH3COO]- 448.94107 212.2
[M+Na-2H]- 410.90189 168.2
[M]+ 389.92667 178.0
[M]- 389.92777 178.0
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.