CID 91687

Anilofos

Structural Information

Molecular Formula

C₁₃H₁₉ClNO₃PS₂

SMILES

CC(C)N(C1=CC=C(C=C1)Cl)C(=O)CSP(=S)(OC)OC

InChI

InChI=1S/C13H19ClNO3PS2/c1-10(2)15(12-7-5-11(14)6-8-12)13(16)9-21-19(20,17-3)18-4/h5-8,10H,9H2,1-4H3

InChIKey

NXQDBZGWYSEGFL-UHFFFAOYSA-N

Compound name

N-(4-chlorophenyl)-2-dimethoxyphosphinothioylsulfanyl-N-propan-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 21
References: 32748
Patents: 367.02325 Da
Monoisotopic Mass: 3.8
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]+	368.03053	173.3
[M+Na]+	390.01247	178.7
[M-H]-	366.01597	176.9
[M+NH4]+	385.05707	188.1
[M+K]+	405.98641	174.8
[M+H-H2O]+	350.02051	164.9
[M+HCOO]-	412.02145	185.8
[M+CH3COO]-	426.03710	216.8
[M+Na-2H]-	387.99792	170.0
[M]+	367.02270	182.1
[M]-	367.02380	182.1

Literature stripe

literature stripe

Patent stripe

patents stripe