CID 87717

Stauffer n-5196

Structural Information

Molecular Formula
C11H15Cl2O2PS2
SMILES
CCOP(=S)(CC)SCOC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C11H15Cl2O2PS2/c1-3-15-16(17,4-2)18-8-14-11-6-5-9(12)7-10(11)13/h5-7H,3-4,8H2,1-2H3
InChIKey
ANDKQEZSSZZOHA-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenoxy)methylsulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.96283 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.97011 172.2
[M+Na]+ 366.95205 184.0
[M+NH4]+ 361.99665 180.4
[M+K]+ 382.92599 173.0
[M-H]- 342.95555 173.4
[M+Na-2H]- 364.93750 176.0
[M]+ 343.96228 175.7
[M]- 343.96338 175.7
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.