CID 201071

Brn 1969647

Structural Information

Molecular Formula

C₈H₁₀NO₃PS

SMILES

CP(=S)(C)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C8H10NO3PS/c1-13(2,14)12-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3

InChIKey

WYZDYCDKZOHZOM-UHFFFAOYSA-N

Compound name

dimethyl-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 231.0119 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	232.01918	143.7
[M+Na]+	254.00112	151.1
[M-H]-	230.00462	147.1
[M+NH4]+	249.04572	162.1
[M+K]+	269.97506	144.8
[M+H-H2O]+	214.00916	140.3
[M+HCOO]-	276.01010	168.8
[M+CH3COO]-	290.02575	182.7
[M+Na-2H]-	251.98657	148.1
[M]+	231.01135	145.5
[M]-	231.01245	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe