CID 88520

Stauffer n-3736

Structural Information

Molecular Formula
C10H24O4P2S3
SMILES
CCOP(=O)(CC)SCSCSP(=O)(CC)OCC
InChI
InChI=1S/C10H24O4P2S3/c1-5-13-15(11,7-3)18-9-17-10-19-16(12,8-4)14-6-2/h5-10H2,1-4H3
InChIKey
FHSNIKKZEFCKFD-UHFFFAOYSA-N
Compound name
1-[[ethoxy(ethyl)phosphoryl]sulfanylmethylsulfanylmethylsulfanyl-ethylphosphoryl]oxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.0312 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.03848 174.1
[M+Na]+ 389.02042 177.5
[M-H]- 365.02392 170.3
[M+NH4]+ 384.06502 187.5
[M+K]+ 404.99436 172.8
[M+H-H2O]+ 349.02846 161.8
[M+HCOO]- 411.02940 189.9
[M+CH3COO]- 425.04505 213.2
[M+Na-2H]- 387.00587 170.6
[M]+ 366.03065 182.3
[M]- 366.03175 182.3
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.