CID 209256

Synerphos

Structural Information

Molecular Formula

C₁₀H₁₃NO₃S

SMILES

CCSCCOC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H13NO3S/c1-2-15-8-7-14-10-5-3-9(4-6-10)11(12)13/h3-6H,2,7-8H2,1H3

InChIKey

QMZNCBRRQAZBJE-UHFFFAOYSA-N

Compound name

1-(2-ethylsulfanylethoxy)-4-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 227.06161 Da
Monoisotopic Mass: 3.2
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]+	228.06889	145.8
[M+Na]+	250.05083	158.3
[M+NH4]+	245.09543	154.4
[M+K]+	266.02477	152.3
[M-H]-	226.05433	149.3
[M+Na-2H]-	248.03628	151.7
[M]+	227.06106	148.9
[M]-	227.06216	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe