CID 6506394

Methyl phoxim

Structural Information

Molecular Formula

C₁₀H₁₁N₂O₃PS

SMILES

COP(=S)(OC)O/N=C(/C#N)\C1=CC=CC=C1

InChI

InChI=1S/C10H11N2O3PS/c1-13-16(17,14-2)15-12-10(8-11)9-6-4-3-5-7-9/h3-7H,1-2H3/b12-10-

InChIKey

QQVNWNVUGXNUJN-BENRWUELSA-N

Compound name

(E)-N-dimethoxyphosphinothioyloxybenzenecarboximidoyl cyanide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4093
Patents: 270.0228 Da
Monoisotopic Mass: 3.7
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]+	271.03008	155.3
[M+Na]+	293.01202	164.1
[M+NH4]+	288.05662	158.5
[M+K]+	308.98596	155.0
[M-H]-	269.01552	148.8
[M+Na-2H]-	290.99747	157.8
[M]+	270.02225	154.0
[M]-	270.02335	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe