CID 118698

Chemagro 5461

Structural Information

Molecular Formula
C5H12ClOPS2
SMILES
CCSP(=O)(CCl)SCC
InChI
InChI=1S/C5H12ClOPS2/c1-3-9-8(7,5-6)10-4-2/h3-5H2,1-2H3
InChIKey
GOKBBGQRNIGSLG-UHFFFAOYSA-N
Compound name
1-[chloromethyl(ethylsulfanyl)phosphoryl]sulfanylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.97557 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.98285 143.5
[M+Na]+ 240.96479 152.9
[M+NH4]+ 236.00939 152.0
[M+K]+ 256.93873 143.5
[M-H]- 216.96829 142.7
[M+Na-2H]- 238.95024 145.2
[M]+ 217.97502 145.7
[M]- 217.97612 145.7
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.