CID 3047937

Stauffer n-2860

Structural Information

Molecular Formula
C11H16ClOPS3
SMILES
CCOP(=S)(CC)SCSC1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H16ClOPS3/c1-3-13-14(15,4-2)17-9-16-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKey
UFZQGFOZESGELH-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)sulfanylmethylsulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.97894 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.98622 159.7
[M+Na]+ 348.96816 167.1
[M-H]- 324.97166 161.5
[M+NH4]+ 344.01276 175.9
[M+K]+ 364.94210 159.2
[M+H-H2O]+ 308.97620 151.9
[M+HCOO]- 370.97714 167.3
[M+CH3COO]- 384.99279 204.2
[M+Na-2H]- 346.95361 157.1
[M]+ 325.97839 164.8
[M]- 325.97949 164.8
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.