CID 17345

Formothion

Structural Information

Molecular Formula

C₆H₁₂NO₄PS₂

SMILES

CN(C=O)C(=O)CSP(=S)(OC)OC

InChI

InChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3

InChIKey

AIKKULXCBHRFOS-UHFFFAOYSA-N

Compound name

2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 19
References: 17830
Patents: 256.99454 Da
Monoisotopic Mass: 1.5
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]+	258.001816	149.5
[M+Na]+	279.983758	155.1
[M-H]-	255.987264	149.6
[M+NH4]+	275.028363	167.3
[M+K]+	295.957698	154.0
[M+H-H2O]+	239.991800	140.7
[M+HCOO]-	301.992741	167.9
[M+CH3COO]-	316.008391	196.4
[M+Na-2H]-	277.969206	148.0
[M]+	256.99399142	157.0
[M]-	256.99508858	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe