CID 3053970

N-formylaminofenitrothion

Structural Information

Molecular Formula

C₁₀H₁₄NO₄PS

SMILES

CC1=C(C=CC(=C1)OP(=S)(OC)OC)NC=O

InChI

InChI=1S/C10H14NO4PS/c1-8-6-9(4-5-10(8)11-7-12)15-16(17,13-2)14-3/h4-7H,1-3H3,(H,11,12)

InChIKey

FPTMHUFUDLSQJC-UHFFFAOYSA-N

Compound name

N-(4-dimethoxyphosphinothioyloxy-2-methylphenyl)formamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 0
Patents: 275.03812 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]+	276.045396	156.8
[M+Na]+	298.027338	164.4
[M-H]-	274.030844	159.7
[M+NH4]+	293.071943	173.9
[M+K]+	314.001278	162.4
[M+H-H2O]+	258.035380	147.9
[M+HCOO]-	320.036321	181.9
[M+CH3COO]-	334.051971	199.1
[M+Na-2H]-	296.012786	158.1
[M]+	275.03757142	164.0
[M]-	275.03866858	164.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.