CID 18609

Aspon

Structural Information

Molecular Formula
C12H28O5P2S2
SMILES
CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC
InChI
InChI=1S/C12H28O5P2S2/c1-5-9-13-18(20,14-10-6-2)17-19(21,15-11-7-3)16-12-8-4/h5-12H2,1-4H3
InChIKey
IIDFEIDMIKSJSV-UHFFFAOYSA-N
Compound name
dipropoxyphosphinothioyloxy-dipropoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

0
References

1138
Patents

378.08533 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.09261 183.7
[M+Na]+ 401.07455 187.0
[M-H]- 377.07805 180.4
[M+NH4]+ 396.11915 199.5
[M+K]+ 417.04849 184.4
[M+H-H2O]+ 361.08259 171.9
[M+HCOO]- 423.08353 216.4
[M+CH3COO]- 437.09918 216.2
[M+Na-2H]- 399.06000 180.5
[M]+ 378.08478 196.1
[M]- 378.08588 196.1
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

patents stripe