CID 75769

Dow et-15

Structural Information

Molecular Formula

C₇H₇Cl₃NO₂PS

SMILES

COP(=S)(N)OC1=CC(=C(C=C1Cl)Cl)Cl

InChI

InChI=1S/C7H7Cl3NO2PS/c1-12-14(11,15)13-7-3-5(9)4(8)2-6(7)10/h2-3H,1H3,(H2,11,15)

InChIKey

WRWBHVIYUCQSIA-UHFFFAOYSA-N

Compound name

1-[amino(methoxy)phosphinothioyl]oxy-2,4,5-trichlorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 304.90005 Da
Monoisotopic Mass: 4.3
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]+	305.90733	152.0
[M+Na]+	327.88927	162.7
[M-H]-	303.89277	154.3
[M+NH4]+	322.93387	169.7
[M+K]+	343.86321	156.9
[M+H-H2O]+	287.89731	147.6
[M+HCOO]-	349.89825	161.9
[M+CH3COO]-	363.91390	200.7
[M+Na-2H]-	325.87472	151.3
[M]+	304.89950	158.2
[M]-	304.90060	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe