CID 86136

93819-94-4

Structural Information

Molecular Formula
C12H27O2PS2
SMILES
CCC(C)OP(=S)(OCCCCCC(C)C)S
InChI
InChI=1S/C12H27O2PS2/c1-5-12(4)14-15(16,17)13-10-8-6-7-9-11(2)3/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKey
LPEQNMKNSKSCGZ-UHFFFAOYSA-N
Compound name
butan-2-yloxy-(6-methylheptoxy)-sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

298.11902 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12630 168.5
[M+Na]+ 321.10824 174.6
[M+NH4]+ 316.15284 174.9
[M+K]+ 337.08218 166.7
[M-H]- 297.11174 166.5
[M+Na-2H]- 319.09369 167.8
[M]+ 298.11847 169.5
[M]- 298.11957 169.5
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.