CID 80362

Tri-m-tolylphosphine

Structural Information

Molecular Formula

C₂₁H₂₁P

SMILES

CC1=CC(=CC=C1)P(C2=CC=CC(=C2)C)C3=CC=CC(=C3)C

InChI

InChI=1S/C21H21P/c1-16-7-4-10-19(13-16)22(20-11-5-8-17(2)14-20)21-12-6-9-18(3)15-21/h4-15H,1-3H3

InChIKey

LFNXCUNDYSYVJY-UHFFFAOYSA-N

Compound name

tris(3-methylphenyl)phosphane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 3533
Patents: 304.1381 Da
Monoisotopic Mass: 5.7
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]+	305.145376	176.0
[M+Na]+	327.127318	182.6
[M-H]-	303.130824	184.4
[M+NH4]+	322.171923	191.2
[M+K]+	343.101258	176.9
[M+H-H2O]+	287.135360	164.6
[M+HCOO]-	349.136301	203.0
[M+CH3COO]-	363.151951	210.1
[M+Na-2H]-	325.112766	174.6
[M]+	304.13755142	176.1
[M]-	304.13864858	176.1

Literature stripe

literature stripe

Patent stripe

patents stripe