CID 24846014

97586-76-0

Structural Information

Molecular Formula
C13H20NO4PS
SMILES
CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC(C)C
InChI
InChI=1S/C13H20NO4PS/c1-9(2)16-13(15)11-7-5-6-8-12(11)18-19(14,20)17-10(3)4/h5-10H,1-4H3,(H2,14,20)
InChIKey
XCMCLKFNNWNPCY-UHFFFAOYSA-N
Compound name
propan-2-yl 2-[amino(propan-2-yloxy)phosphinothioyl]oxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.08505 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09233 171.1
[M+Na]+ 340.07427 178.2
[M+NH4]+ 335.11887 176.2
[M+K]+ 356.04821 173.9
[M-H]- 316.07777 170.2
[M+Na-2H]- 338.05972 173.2
[M]+ 317.08450 171.9
[M]- 317.08560 171.9
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.