CID 73901

O-(4-chlorophenyl) o-ethyl ethylphosphonothioate

Structural Information

Molecular Formula

C₁₀H₁₄ClO₂PS

SMILES

CCOP(=S)(CC)OC1=CC=C(C=C1)Cl

InChI

InChI=1S/C10H14ClO2PS/c1-3-12-14(15,4-2)13-10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3

InChIKey

JAHMRVWOLWTYID-UHFFFAOYSA-N

Compound name

(4-chlorophenoxy)-ethoxy-ethyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 264.01407 Da
Monoisotopic Mass: 4.0
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]+	265.021346	153.1
[M+Na]+	287.003288	161.9
[M-H]-	263.006794	156.2
[M+NH4]+	282.047893	172.2
[M+K]+	302.977228	157.6
[M+H-H2O]+	247.011330	146.0
[M+HCOO]-	309.012271	172.2
[M+CH3COO]-	323.027921	193.6
[M+Na-2H]-	284.988736	153.8
[M]+	264.01352142	160.7
[M]-	264.01461858	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.