CID 3055272

72197-85-4

Structural Information

Molecular Formula
C13H29O5PS
SMILES
CCCCCC(C)OP(=S)(OCCOC)OCCOC
InChI
InChI=1S/C13H29O5PS/c1-5-6-7-8-13(2)18-19(20,16-11-9-14-3)17-12-10-15-4/h13H,5-12H2,1-4H3
InChIKey
ZGPWNJSZPZPIFZ-UHFFFAOYSA-N
Compound name
heptan-2-yloxy-bis(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.14734 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.15462 179.9
[M+Na]+ 351.13656 183.4
[M-H]- 327.14006 177.8
[M+NH4]+ 346.18116 195.0
[M+K]+ 367.11050 182.8
[M+H-H2O]+ 311.14460 170.9
[M+HCOO]- 373.14554 200.4
[M+CH3COO]- 387.16119 209.0
[M+Na-2H]- 349.12201 177.1
[M]+ 328.14679 192.6
[M]- 328.14789 192.6
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.