CID 11266196

Refchem:552516

Structural Information

Molecular Formula
C15H15OPS
SMILES
CC(=O)SCP(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C15H15OPS/c1-13(16)18-12-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChIKey
LVXOEEJOVFRDTQ-UHFFFAOYSA-N
Compound name
S-(diphenylphosphanylmethyl) ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

274.05814 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.06542 161.0
[M+Na]+ 297.04736 166.6
[M-H]- 273.05086 166.2
[M+NH4]+ 292.09196 177.8
[M+K]+ 313.02130 162.5
[M+H-H2O]+ 257.05540 151.1
[M+HCOO]- 319.05634 183.7
[M+CH3COO]- 333.07199 197.9
[M+Na-2H]- 295.03281 159.1
[M]+ 274.05759 163.0
[M]- 274.05869 163.0
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.