CID 92172

6028-47-3

Structural Information

Molecular Formula
C12H27O2PS2
SMILES
CC(C)CC(C)OP(=S)(OC(C)CC(C)C)S
InChI
InChI=1S/C12H27O2PS2/c1-9(2)7-11(5)13-15(16,17)14-12(6)8-10(3)4/h9-12H,7-8H2,1-6H3,(H,16,17)
InChIKey
KGYKKBGZPGVFOS-UHFFFAOYSA-N
Compound name
bis(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

909
Patents

298.11902 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12630 168.2
[M+Na]+ 321.10824 173.6
[M+NH4]+ 316.15284 174.4
[M+K]+ 337.08218 167.3
[M-H]- 297.11174 165.7
[M+Na-2H]- 319.09369 167.0
[M]+ 298.11847 168.9
[M]- 298.11957 168.9
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

patents stripe