CID 12781617

(2-bromophenyl)dichlorophosphane

Structural Information

Molecular Formula

C₆H₄BrCl₂P

SMILES

C1=CC=C(C(=C1)P(Cl)Cl)Br

InChI

InChI=1S/C6H4BrCl2P/c7-5-3-1-2-4-6(5)10(8)9/h1-4H

InChIKey

STMZGEUMJGFEPS-UHFFFAOYSA-N

Compound name

(2-bromophenyl)-dichlorophosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 255.86111 Da
Monoisotopic Mass: 3.8
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]+	256.86839	145.6
[M+Na]+	278.85033	159.6
[M-H]-	254.85383	150.8
[M+NH4]+	273.89493	168.4
[M+K]+	294.82427	145.8
[M+H-H2O]+	238.85837	146.0
[M+HCOO]-	300.85931	162.9
[M+CH3COO]-	314.87496	190.0
[M+Na-2H]-	276.83578	149.4
[M]+	255.86056	166.7
[M]-	255.86166	166.7

Literature stripe

literature stripe

Patent stripe

patents stripe