CID 31070

Fenamiphos

Structural Information

Molecular Formula

C₁₃H₂₂NO₃PS

SMILES

CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C

InChI

InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)

InChIKey

ZCJPOPBZHLUFHF-UHFFFAOYSA-N

Compound name

N-[ethoxy-(3-methyl-4-methylsulfanylphenoxy)phosphoryl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 152
References: 30422
Patents: 303.1058 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]+	304.11308	169.0
[M+Na]+	326.09502	174.9
[M-H]-	302.09852	171.4
[M+NH4]+	321.13962	185.1
[M+K]+	342.06896	172.8
[M+H-H2O]+	286.10306	159.8
[M+HCOO]-	348.10400	191.6
[M+CH3COO]-	362.11965	207.7
[M+Na-2H]-	324.08047	167.4
[M]+	303.10525	176.0
[M]-	303.10635	176.0

Literature stripe

literature stripe

Patent stripe

patents stripe