CID 6436894

1217-96-5

Structural Information

Molecular Formula

C₁₀H₁₀Br₂ClO₃PS

SMILES

COP(=S)(OC)O/C(=C/Cl)/C1=C(C=C(C=C1)Br)Br

InChI

InChI=1S/C10H10Br2ClO3PS/c1-14-17(18,15-2)16-10(6-13)8-4-3-7(11)5-9(8)12/h3-6H,1-2H3/b10-6+

InChIKey

LZRJENBJTBVXQR-UXBLZVDNSA-N

Compound name

[(E)-2-chloro-1-(2,4-dibromophenyl)ethenoxy]-dimethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 433.81436 Da
Monoisotopic Mass: 5.3
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]+	434.821636	165.5
[M+Na]+	456.803578	178.0
[M-H]-	432.807084	172.1
[M+NH4]+	451.848183	182.5
[M+K]+	472.777518	160.0
[M+H-H2O]+	416.811620	172.2
[M+HCOO]-	478.812561	176.9
[M+CH3COO]-	492.828211	218.3
[M+Na-2H]-	454.789026	167.3
[M]+	433.81381142	205.1
[M]-	433.81490858	205.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.