CID 165009

Bay 30911

Structural Information

Molecular Formula

C₈H₉Cl₂O₂PS

SMILES

COP(=S)(C)OC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C8H9Cl2O2PS/c1-11-13(2,14)12-8-4-3-6(9)5-7(8)10/h3-5H,1-2H3

InChIKey

OOSBSVDOHPTTCT-UHFFFAOYSA-N

Compound name

(2,4-dichlorophenoxy)-methoxy-methyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 163
Patents: 269.9438 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]+	270.95108	146.9
[M+Na]+	292.93302	157.7
[M-H]-	268.93652	150.4
[M+NH4]+	287.97762	166.5
[M+K]+	308.90696	152.7
[M+H-H2O]+	252.94106	141.5
[M+HCOO]-	314.94200	161.7
[M+CH3COO]-	328.95765	193.3
[M+Na-2H]-	290.91847	147.7
[M]+	269.94325	155.0
[M]-	269.94435	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe