CID 2771889

Phosphine oxide, tris(bromomethyl)-

Structural Information

Molecular Formula

C₃H₆Br₃OP

SMILES

C(P(=O)(CBr)CBr)Br

InChI

InChI=1S/C3H6Br3OP/c4-1-8(7,2-5)3-6/h1-3H2

InChIKey

BSGZXKYGLBFWCZ-UHFFFAOYSA-N

Compound name

bis(bromomethyl)phosphoryl-bromomethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 325.77063 Da
Monoisotopic Mass: 2.0
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]+	326.77791	154.1
[M+Na]+	348.75985	163.0
[M-H]-	324.76335	157.4
[M+NH4]+	343.80445	170.0
[M+K]+	364.73379	146.7
[M+H-H2O]+	308.76789	167.4
[M+HCOO]-	370.76883	166.3
[M+CH3COO]-	384.78448	216.7
[M+Na-2H]-	346.74530	157.6
[M]+	325.77008	195.1
[M]-	325.77118	195.1

Literature stripe

literature stripe

Patent stripe

patents stripe