CID 32765

Leptophos oxon

Structural Information

Molecular Formula

C₁₃H₁₀BrCl₂O₃P

SMILES

COP(=O)(C1=CC=CC=C1)OC2=CC(=C(C=C2Cl)Br)Cl

InChI

InChI=1S/C13H10BrCl2O3P/c1-18-20(17,9-5-3-2-4-6-9)19-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3

InChIKey

MAKUYRKZFGSMMG-UHFFFAOYSA-N

Compound name

1-bromo-2,5-dichloro-4-[methoxy(phenyl)phosphoryl]oxybenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 20
Patents: 393.8928 Da
Monoisotopic Mass: 4.6
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]+	394.90008	173.1
[M+Na]+	416.88202	179.3
[M+NH4]+	411.92662	177.7
[M+K]+	432.85596	177.4
[M-H]-	392.88552	174.6
[M+Na-2H]-	414.86747	178.0
[M]+	393.89225	173.9
[M]-	393.89335	173.9

Literature stripe

literature stripe

Patent stripe

patents stripe