CID 216983

37958-53-5

Structural Information

Molecular Formula
C12H19OPS2
SMILES
CCCCOP(=S)(CC1=CC=CC=C1)SC
InChI
InChI=1S/C12H19OPS2/c1-3-4-10-13-14(15,16-2)11-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKey
JWFKVDYRJIOCFA-UHFFFAOYSA-N
Compound name
benzyl-butoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0615 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.06878 157.9
[M+Na]+ 297.05072 164.2
[M-H]- 273.05422 159.7
[M+NH4]+ 292.09532 175.4
[M+K]+ 313.02466 159.3
[M+H-H2O]+ 257.05876 148.9
[M+HCOO]- 319.05970 175.2
[M+CH3COO]- 333.07535 197.4
[M+Na-2H]- 295.03617 156.2
[M]+ 274.06095 162.7
[M]- 274.06205 162.7
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.