CID 198191

38528-24-4

Structural Information

Molecular Formula

C₁₁H₁₆ClO₃PS

SMILES

CCCSP(=O)(OCC)OC1=CC=C(C=C1)Cl

InChI

InChI=1S/C11H16ClO3PS/c1-3-9-17-16(13,14-4-2)15-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3

InChIKey

ONFQRDXTWNAUFO-UHFFFAOYSA-N

Compound name

1-chloro-4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 294.02463 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]+	295.03191	160.6
[M+Na]+	317.01385	168.8
[M-H]-	293.01735	163.5
[M+NH4]+	312.05845	178.4
[M+K]+	332.98779	164.9
[M+H-H2O]+	277.02189	153.1
[M+HCOO]-	339.02283	179.7
[M+CH3COO]-	353.03848	198.5
[M+Na-2H]-	314.99930	161.1
[M]+	294.02408	170.0
[M]-	294.02518	170.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe