CID 72069

Quintiofos

Structural Information

Molecular Formula

C₁₇H₁₆NO₂PS

SMILES

CCOP(=S)(C1=CC=CC=C1)OC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C17H16NO2PS/c1-2-19-21(22,15-10-4-3-5-11-15)20-16-12-6-8-14-9-7-13-18-17(14)16/h3-13H,2H2,1H3

InChIKey

OYFLKNAULOKYRI-UHFFFAOYSA-N

Compound name

ethoxy-phenyl-quinolin-8-yloxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3932
Patents: 329.06393 Da
Monoisotopic Mass: 5.2
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]+	330.07121	173.7
[M+Na]+	352.05315	181.2
[M-H]-	328.05665	178.5
[M+NH4]+	347.09775	188.0
[M+K]+	368.02709	176.2
[M+H-H2O]+	312.06119	162.6
[M+HCOO]-	374.06213	195.0
[M+CH3COO]-	388.07778	206.7
[M+Na-2H]-	350.03860	176.7
[M]+	329.06338	177.7
[M]-	329.06448	177.7

Literature stripe

literature stripe

Patent stripe

patents stripe