CID 87567

Stauffer n-3734

Structural Information

Molecular Formula
C10H24O2P2S5
SMILES
CCOP(=S)(CC)SCSCSP(=S)(CC)OCC
InChI
InChI=1S/C10H24O2P2S5/c1-5-11-13(15,7-3)18-9-17-10-19-14(16,8-4)12-6-2/h5-10H2,1-4H3
InChIKey
WYAIZMVWGQDHAX-UHFFFAOYSA-N
Compound name
ethoxy-[[ethoxy(ethyl)phosphinothioyl]sulfanylmethylsulfanylmethylsulfanyl]-ethyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.9855 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.99278 181.7
[M+Na]+ 420.97472 184.0
[M-H]- 396.97822 175.2
[M+NH4]+ 416.01932 191.7
[M+K]+ 436.94866 172.9
[M+H-H2O]+ 380.98276 167.8
[M+HCOO]- 442.98370 185.2
[M+CH3COO]- 456.99935 220.0
[M+Na-2H]- 418.96017 177.6
[M]+ 397.98495 179.0
[M]- 397.98605 179.0
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.