CID 3066032

Brn 1801308

Structural Information

Molecular Formula
C14H32O4P2S
SMILES
CCCCCOP(=O)(CC)OCCCCCCP(=S)(C)O
InChI
InChI=1S/C14H32O4P2S/c1-4-6-9-12-17-20(16,5-2)18-13-10-7-8-11-14-19(3,15)21/h4-14H2,1-3H3,(H,15,21)
InChIKey
DNVLDPOHTBGMFU-UHFFFAOYSA-N
Compound name
6-[ethyl(pentoxy)phosphoryl]oxyhexyl-hydroxy-methyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.14966 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15694 191.7
[M+Na]+ 381.13888 194.8
[M-H]- 357.14238 187.0
[M+NH4]+ 376.18348 191.0
[M+K]+ 397.11282 191.8
[M+H-H2O]+ 341.14692 180.8
[M+HCOO]- 403.14786 209.3
[M+CH3COO]- 417.16351 213.5
[M+Na-2H]- 379.12433 187.6
[M]+ 358.14911 201.9
[M]- 358.15021 201.9
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.