CID 449924

Trifosmin

Structural Information

Molecular Formula

C₁₂H₂₇O₃P

SMILES

COCCCP(CCCOC)CCCOC

InChI

InChI=1S/C12H27O3P/c1-13-7-4-10-16(11-5-8-14-2)12-6-9-15-3/h4-12H2,1-3H3

InChIKey

APRCRSUXFGXHEL-UHFFFAOYSA-N

Compound name

tris(3-methoxypropyl)phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 280
Patents: 250.16978 Da
Monoisotopic Mass: 0.6
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]+	251.177056	168.2
[M+Na]+	273.158998	172.2
[M-H]-	249.162504	166.1
[M+NH4]+	268.203603	186.2
[M+K]+	289.132938	172.0
[M+H-H2O]+	233.167040	159.8
[M+HCOO]-	295.167981	194.8
[M+CH3COO]-	309.183631	199.1
[M+Na-2H]-	271.144446	166.9
[M]+	250.16923142	177.3
[M]-	250.17032858	177.3

Literature stripe

literature stripe

Patent stripe

patents stripe