CID 17522

Cyanophos

Structural Information

Molecular Formula

C₉H₁₀NO₃PS

SMILES

COP(=S)(OC)OC1=CC=C(C=C1)C#N

InChI

InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3

InChIKey

SCKHCCSZFPSHGR-UHFFFAOYSA-N

Compound name

4-dimethoxyphosphinothioyloxybenzonitrile

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 13
References: 29847
Patents: 243.0119 Da
Monoisotopic Mass: 2.7
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]+	244.01918	148.7
[M+Na]+	266.00112	159.0
[M-H]-	242.00462	152.0
[M+NH4]+	261.04572	165.8
[M+K]+	281.97506	157.2
[M+H-H2O]+	226.00916	134.6
[M+HCOO]-	288.01010	169.3
[M+CH3COO]-	302.02575	201.3
[M+Na-2H]-	263.98657	150.7
[M]+	243.01135	149.9
[M]-	243.01245	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe