CID 4274

Tetrofosmin

Structural Information

Molecular Formula

C₁₈H₄₀O₄P₂

SMILES

CCOCCP(CCOCC)CCP(CCOCC)CCOCC

InChI

InChI=1S/C18H40O4P2/c1-5-19-9-13-23(14-10-20-6-2)17-18-24(15-11-21-7-3)16-12-22-8-4/h5-18H2,1-4H3

InChIKey

QCWJONLQSHEGEJ-UHFFFAOYSA-N

Compound name

2-[bis(2-ethoxyethyl)phosphanyl]ethyl-bis(2-ethoxyethyl)phosphane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1228
References: 3934
Patents: 382.24017 Da
Monoisotopic Mass: 0.5
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]+	383.24745	200.7
[M+Na]+	405.22939	205.6
[M+NH4]+	400.27399	219.5
[M+K]+	421.20333	215.0
[M-H]-	381.23289	203.6
[M+Na-2H]-	403.21484	198.2
[M]+	382.23962	199.9
[M]-	382.24072	199.9

Literature stripe

literature stripe

Patent stripe

patents stripe