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]+ 323.035746 164.8
[M+Na]+ 345.017688 170.3
[M-H]- 321.021194 165.5
[M+NH4]+ 340.062293 179.8
[M+K]+ 360.991628 163.9
[M+H-H2O]+ 305.025730 155.1
[M+HCOO]- 367.026671 176.6
[M+CH3COO]- 381.042321 204.4
[M+Na-2H]- 343.003136 162.6
[M]+ 322.02792142 169.5
[M]- 322.02901858 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.