CID 46937262

106740-09-4

Structural Information

Molecular Formula
C11H16NO2PS2
SMILES
COC1=CC=C(C=C1)P(=S)(N2CCOCC2)S
InChI
InChI=1S/C11H16NO2PS2/c1-13-10-2-4-11(5-3-10)15(16,17)12-6-8-14-9-7-12/h2-5H,6-9H2,1H3,(H,16,17)
InChIKey
QDSAKNAFJWRQIV-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-morpholin-4-yl-sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

226
References

22
Patents

289.036 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.04328 156.4
[M+Na]+ 312.02522 167.3
[M+NH4]+ 307.06982 164.8
[M+K]+ 327.99916 158.4
[M-H]- 288.02872 160.5
[M+Na-2H]- 310.01067 161.7
[M]+ 289.03545 160.0
[M]- 289.03655 160.0
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