CID 11266196

625-039-6

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

53
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

literature stripe

Patent stripe

patents stripe