CID 170605

42069-01-2

Structural Information

Molecular Formula
C5H12ClOPS2
SMILES
CCCSP(=S)(OCC)Cl
InChI
InChI=1S/C5H12ClOPS2/c1-3-5-10-8(6,9)7-4-2/h3-5H2,1-2H3
InChIKey
YNCRZEUPMCYHDT-UHFFFAOYSA-N
Compound name
chloro-ethoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

217.97557 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.98285 138.0
[M+Na]+ 240.96479 146.0
[M-H]- 216.96829 137.7
[M+NH4]+ 236.00939 158.8
[M+K]+ 256.93873 141.7
[M+H-H2O]+ 200.97283 131.9
[M+HCOO]- 262.97377 151.1
[M+CH3COO]- 276.98942 185.2
[M+Na-2H]- 238.95024 136.7
[M]+ 217.97502 144.4
[M]- 217.97612 144.4
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

patents stripe