CID 209697

20195-12-4

Structural Information

Molecular Formula
C11H25O3PS
SMILES
CCCCCC(C)OP(=S)(OCC)OCC
InChI
InChI=1S/C11H25O3PS/c1-5-8-9-10-11(4)14-15(16,12-6-2)13-7-3/h11H,5-10H2,1-4H3
InChIKey
NETWHEUXGRBSSI-UHFFFAOYSA-N
Compound name
diethoxy-heptan-2-yloxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1262 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13348 165.5
[M+Na]+ 291.11542 170.3
[M-H]- 267.11892 164.0
[M+NH4]+ 286.16002 183.3
[M+K]+ 307.08936 169.1
[M+H-H2O]+ 251.12346 157.3
[M+HCOO]- 313.12440 186.2
[M+CH3COO]- 327.14005 199.2
[M+Na-2H]- 289.10087 163.0
[M]+ 268.12565 174.7
[M]- 268.12675 174.7
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.