CID 114254

Bay 39197

Structural Information

Molecular Formula
C13H16NO2PS
SMILES
CCOP(=S)(C)NOC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C13H16NO2PS/c1-3-15-17(2,18)14-16-13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,3H2,1-2H3,(H,14,18)
InChIKey
HNKLAYIXVYKDPX-UHFFFAOYSA-N
Compound name
1-[[ethoxy(methyl)phosphinothioyl]amino]oxynaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.06393 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.07121 160.5
[M+Na]+ 304.05315 167.5
[M-H]- 280.05665 163.6
[M+NH4]+ 299.09775 178.3
[M+K]+ 320.02709 163.8
[M+H-H2O]+ 264.06119 151.4
[M+HCOO]- 326.06213 183.9
[M+CH3COO]- 340.07778 201.1
[M+Na-2H]- 302.03860 163.8
[M]+ 281.06338 165.0
[M]- 281.06448 165.0
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.