CID 34329

28782-58-3

Structural Information

Molecular Formula
C14H16NO4PS
SMILES
CN(C(=O)OC1=CC=CC2=CC=CC=C21)P(=S)(OC)OC
InChI
InChI=1S/C14H16NO4PS/c1-15(20(21,17-2)18-3)14(16)19-13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,1-3H3
InChIKey
RURAUFDDULEMBM-UHFFFAOYSA-N
Compound name
naphthalen-1-yl N-dimethoxyphosphinothioyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.05377 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.06105 169.6
[M+Na]+ 348.04299 179.8
[M+NH4]+ 343.08759 176.6
[M+K]+ 364.01693 173.3
[M-H]- 324.04649 171.0
[M+Na-2H]- 346.02844 174.6
[M]+ 325.05322 171.7
[M]- 325.05432 171.7
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.