CID 69012

S-methyl-methylparathion

Structural Information

Molecular Formula

C₈H₁₀NO₅PS

SMILES

COP(=O)(OC1=CC=C(C=C1)[N+](=O)[O-])SC

InChI

InChI=1S/C8H10NO5PS/c1-13-15(12,16-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3

InChIKey

IVNMMKOOGWCFRS-UHFFFAOYSA-N

Compound name

1-[methoxy(methylsulfanyl)phosphoryl]oxy-4-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 21
Patents: 263.00174 Da
Monoisotopic Mass: 1.7
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]+	264.009016	149.9
[M+Na]+	285.990958	156.7
[M-H]-	261.994464	153.1
[M+NH4]+	281.035563	166.7
[M+K]+	301.964898	151.5
[M+H-H2O]+	245.999000	145.9
[M+HCOO]-	307.999941	175.4
[M+CH3COO]-	322.015591	186.8
[M+Na-2H]-	283.976406	155.1
[M]+	263.00119142	154.3
[M]-	263.00228858	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe