CID 24841789

Brn 2535935

Structural Information

Molecular Formula
C13H21O3PS2
SMILES
CCOP(=O)(OCC)SCCSC1=CC=C(C=C1)C
InChI
InChI=1S/C13H21O3PS2/c1-4-15-17(14,16-5-2)19-11-10-18-13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3
InChIKey
WYASLCQNKQXVLF-UHFFFAOYSA-N
Compound name
1-(2-diethoxyphosphorylsulfanylethylsulfanyl)-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.067 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.07428 168.7
[M+Na]+ 343.05622 178.2
[M+NH4]+ 338.10082 176.0
[M+K]+ 359.03016 168.7
[M-H]- 319.05972 169.5
[M+Na-2H]- 341.04167 172.2
[M]+ 320.06645 171.2
[M]- 320.06755 171.2
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.