CID 5057618

50296-37-2

Structural Information

Molecular Formula

C₆H₁₈BrN₃P

SMILES

CN(C)[P+](N(C)C)(N(C)C)Br

InChI

InChI=1S/C6H18BrN3P/c1-8(2)11(7,9(3)4)10(5)6/h1-6H3/q+1

InChIKey

GQKVINJBYYRJRF-UHFFFAOYSA-N

Compound name

bromo-tris(dimethylamino)phosphanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 434
Patents: 242.04218 Da
Monoisotopic Mass: 1.6
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]+	243.049456	156.9
[M+Na]+	265.031398	165.6
[M-H]-	241.034904	163.0
[M+NH4]+	260.076003	179.2
[M+K]+	281.005338	153.4
[M+H-H2O]+	225.039440	155.5
[M+HCOO]-	287.040381	184.9
[M+CH3COO]-	301.056031	202.0
[M+Na-2H]-	263.016846	162.1
[M]+	242.04163142	177.3
[M]-	242.04272858	177.3

Literature stripe

literature stripe

Patent stripe

patents stripe