CID 87718

Stauffer r-10414

Structural Information

Molecular Formula
C12H17Cl2O2PS2
SMILES
CCCOP(=S)(CC)SCOC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C12H17Cl2O2PS2/c1-3-7-16-17(18,4-2)19-9-15-12-6-5-10(13)8-11(12)14/h5-6,8H,3-4,7,9H2,1-2H3
InChIKey
GQIMPJUQDSPLPN-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenoxy)methylsulfanyl-ethyl-propoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.97845 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.98573 167.0
[M+Na]+ 380.96767 175.3
[M-H]- 356.97117 169.7
[M+NH4]+ 376.01227 183.1
[M+K]+ 396.94161 168.5
[M+H-H2O]+ 340.97571 160.6
[M+HCOO]- 402.97665 175.4
[M+CH3COO]- 416.99230 209.2
[M+Na-2H]- 378.95312 164.4
[M]+ 357.97790 176.5
[M]- 357.97900 176.5
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.