CID 5235501

17154-12-0

Structural Information

Molecular Formula

C₁₁H₁₃Cl₂P

SMILES

CC1=CP(CC1)(C2=CC=CC=C2)(Cl)Cl

InChI

InChI=1S/C11H13Cl2P/c1-10-7-8-14(12,13,9-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3

InChIKey

AEMRMAGLXFMHPL-UHFFFAOYSA-N

Compound name

1,1-dichloro-4-methyl-1-phenyl-2,3-dihydro-1lambda5-phosphole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.0132 Da
Monoisotopic Mass: 3.5
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]+	247.02048	143.9
[M+Na]+	269.00242	158.5
[M+NH4]+	264.04702	154.4
[M+K]+	284.97636	151.3
[M-H]-	245.00592	148.3
[M+Na-2H]-	266.98787	152.8
[M]+	246.01265	147.8
[M]-	246.01375	147.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.