CID 78565

Tris(chloromethyl)phosphine oxide

Structural Information

Molecular Formula

C₃H₆Cl₃OP

SMILES

C(P(=O)(CCl)CCl)Cl

InChI

InChI=1S/C3H6Cl3OP/c4-1-8(7,2-5)3-6/h1-3H2

InChIKey

GGECNORVQSLCLI-UHFFFAOYSA-N

Compound name

bis(chloromethyl)phosphoryl-chloromethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 131
Patents: 193.92218 Da
Monoisotopic Mass: 1.4
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]+	194.92946	132.6
[M+Na]+	216.91140	142.7
[M-H]-	192.91490	131.1
[M+NH4]+	211.95600	154.1
[M+K]+	232.88534	138.0
[M+H-H2O]+	176.91944	129.5
[M+HCOO]-	238.92038	146.2
[M+CH3COO]-	252.93603	181.2
[M+Na-2H]-	214.89685	136.4
[M]+	193.92163	137.1
[M]-	193.92273	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe