CID 100524

Amiprofos-methyl

Structural Information

Molecular Formula

C₁₁H₁₇N₂O₄PS

SMILES

CC1=CC(=C(C=C1)OP(=S)(NC(C)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C11H17N2O4PS/c1-8(2)12-18(19,16-4)17-11-6-5-9(3)7-10(11)13(14)15/h5-8H,1-4H3,(H,12,19)

InChIKey

VHEWQRWLIDWRMR-UHFFFAOYSA-N

Compound name

N-[methoxy-(4-methyl-2-nitrophenoxy)phosphinothioyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 29
References: 8633
Patents: 304.06467 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]+	305.07195	162.4
[M+Na]+	327.05389	167.5
[M-H]-	303.05739	165.1
[M+NH4]+	322.09849	177.3
[M+K]+	343.02783	161.5
[M+H-H2O]+	287.06193	157.8
[M+HCOO]-	349.06287	186.4
[M+CH3COO]-	363.07852	200.4
[M+Na-2H]-	325.03934	164.9
[M]+	304.06412	165.2
[M]-	304.06522	165.2

Literature stripe

literature stripe

Patent stripe

patents stripe