CID 69722

3-methyl-1-phenyl-2-phospholene 1-oxide

Structural Information

Molecular Formula

C₁₁H₁₃OP

SMILES

CC1=CP(=O)(CC1)C2=CC=CC=C2

InChI

InChI=1S/C11H13OP/c1-10-7-8-13(12,9-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3

InChIKey

YMKWWHFRGALXLE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 2267
Patents: 192.0704 Da
Monoisotopic Mass: 1.3
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]+	193.07768	140.6
[M+Na]+	215.05962	149.0
[M-H]-	191.06312	146.6
[M+NH4]+	210.10422	164.4
[M+K]+	231.03356	146.3
[M+H-H2O]+	175.06766	132.8
[M+HCOO]-	237.06860	170.9
[M+CH3COO]-	251.08425	182.1
[M+Na-2H]-	213.04507	143.1
[M]+	192.06985	140.7
[M]-	192.07095	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe