CID 4590860

36042-94-1

Structural Information

Molecular Formula

C₁₄H₁₄ClP

SMILES

CC1=CC=CC=C1P(C2=CC=CC=C2C)Cl

InChI

InChI=1S/C14H14ClP/c1-11-7-3-5-9-13(11)16(15)14-10-6-4-8-12(14)2/h3-10H,1-2H3

InChIKey

KAAGXBGJRWFWPT-UHFFFAOYSA-N

Compound name

chloro-bis(2-methylphenyl)phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 208
Patents: 248.05217 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]+	249.059446	154.9
[M+Na]+	271.041388	163.6
[M-H]-	247.044894	160.6
[M+NH4]+	266.085993	173.8
[M+K]+	287.015328	158.1
[M+H-H2O]+	231.049430	146.5
[M+HCOO]-	293.050371	178.8
[M+CH3COO]-	307.066021	195.9
[M+Na-2H]-	269.026836	155.7
[M]+	248.05162142	157.7
[M]-	248.05271858	157.7

Literature stripe

literature stripe

Patent stripe

patents stripe