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 162.7
[M+Na]+ 366.95205 171.4
[M-H]- 342.95555 165.5
[M+NH4]+ 361.99665 179.3
[M+K]+ 382.92599 164.8
[M+H-H2O]+ 326.96009 156.5
[M+HCOO]- 388.96103 171.3
[M+CH3COO]- 402.97668 206.3
[M+Na-2H]- 364.93750 160.4
[M]+ 343.96228 171.8
[M]- 343.96338 171.8
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.