CID 2268

Azinphos-methyl

Structural Information

Molecular Formula

C₁₀H₁₂N₃O₃PS₂

SMILES

COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3

InChIKey

CJJOSEISRRTUQB-UHFFFAOYSA-N

Compound name

3-(dimethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 396
References: 29822
Patents: 317.00577 Da
Monoisotopic Mass: 2.8
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]+	318.01305	160.8
[M+Na]+	339.99499	170.5
[M-H]-	315.99849	160.3
[M+NH4]+	335.03959	173.7
[M+K]+	355.96893	165.9
[M+H-H2O]+	300.00303	151.0
[M+HCOO]-	362.00397	175.7
[M+CH3COO]-	376.01962	202.3
[M+Na-2H]-	337.98044	162.9
[M]+	317.00522	167.5
[M]-	317.00632	167.5

Literature stripe

literature stripe

Patent stripe

patents stripe