CID 117668

Geigy g-33445

Structural Information

Molecular Formula
C12H19O2PS3
SMILES
CCOP(=S)(OCC)SCSCC1=CC=CC=C1
InChI
InChI=1S/C12H19O2PS3/c1-3-13-15(16,14-4-2)18-11-17-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKey
REAKGZQBPMRQGU-UHFFFAOYSA-N
Compound name
benzylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.02847 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.03575 164.8
[M+Na]+ 345.01769 170.3
[M-H]- 321.02119 165.5
[M+NH4]+ 340.06229 179.8
[M+K]+ 360.99163 163.9
[M+H-H2O]+ 305.02573 155.1
[M+HCOO]- 367.02667 176.6
[M+CH3COO]- 381.04232 204.4
[M+Na-2H]- 343.00314 162.6
[M]+ 322.02792 169.5
[M]- 322.02902 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.