CID 110852

Hooker hrs-1635

Structural Information

Molecular Formula
C12H21O2PS3
SMILES
CCOP(=S)(OCC)SC1CCC2C=CCC1S2
InChI
InChI=1S/C12H21O2PS3/c1-3-13-15(16,14-4-2)18-12-9-8-10-6-5-7-11(12)17-10/h5-6,10-12H,3-4,7-9H2,1-2H3
InChIKey
NXJGGWXIRDPAGW-UHFFFAOYSA-N
Compound name
diethoxy-sulfanylidene-(9-thiabicyclo[3.3.1]non-6-en-2-ylsulfanyl)-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.04413 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.05141 162.3
[M+Na]+ 347.03335 166.0
[M-H]- 323.03685 161.1
[M+NH4]+ 342.07795 178.7
[M+K]+ 363.00729 161.0
[M+H-H2O]+ 307.04139 154.4
[M+HCOO]- 369.04233 168.6
[M+CH3COO]- 383.05798 205.5
[M+Na-2H]- 345.01880 162.0
[M]+ 324.04358 163.7
[M]- 324.04468 163.7
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.