CID 20056

Phosacetim

Structural Information

Molecular Formula

C₁₄H₁₃Cl₂N₂O₂PS

SMILES

CC(=NP(=S)(OC1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C14H13Cl2N2O2PS/c1-10(17)18-21(22,19-13-6-2-11(15)3-7-13)20-14-8-4-12(16)5-9-14/h2-9H,1H3,(H2,17,18,22)

InChIKey

XIBXUAZIZXDFTG-UHFFFAOYSA-N

Compound name

N'-bis(4-chlorophenoxy)phosphinothioylethanimidamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 2629
Patents: 373.98123 Da
Monoisotopic Mass: 5.5
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]+	374.98851	180.9
[M+Na]+	396.97045	193.4
[M+NH4]+	392.01505	188.6
[M+K]+	412.94439	184.2
[M-H]-	372.97395	185.0
[M+Na-2H]-	394.95590	188.4
[M]+	373.98068	184.8
[M]-	373.98178	184.8

Literature stripe

literature stripe

Patent stripe

patents stripe