CID 20965

Bromophos-ethyl

Structural Information

Molecular Formula

C₁₀H₁₂BrCl₂O₃PS

SMILES

CCOP(=S)(OCC)OC1=CC(=C(C=C1Cl)Br)Cl

InChI

InChI=1S/C10H12BrCl2O3PS/c1-3-14-17(18,15-4-2)16-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3

InChIKey

KWGUFOITWDSNQY-UHFFFAOYSA-N

Compound name

(4-bromo-2,5-dichlorophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 13
References: 10819
Patents: 391.88052 Da
Monoisotopic Mass: 6.1
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]+	392.88780	166.4
[M+Na]+	414.86974	180.7
[M-H]-	390.87324	172.5
[M+NH4]+	409.91434	185.2
[M+K]+	430.84368	166.5
[M+H-H2O]+	374.87778	166.2
[M+HCOO]-	436.87872	178.5
[M+CH3COO]-	450.89437	210.6
[M+Na-2H]-	412.85519	167.6
[M]+	391.87997	194.4
[M]-	391.88107	194.4

Literature stripe

literature stripe

Patent stripe

patents stripe