CID 23278010

13703-88-3

Structural Information

Molecular Formula

B₃Br₃H₃N₃

SMILES

B1(NB(NB(N1)Br)Br)Br

InChI

InChI=1S/B3Br3H3N3/c4-1-7-2(5)9-3(6)8-1/h7-9H

InChIKey

PCLMMJIWMGUYKF-UHFFFAOYSA-N

Compound name

2,4,6-tribromo-1,3,5,2,4,6-triazatriborinane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 314.81564 Da
Monoisotopic Mass: None
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]+	315.82292	123.5
[M+Na]+	337.80486	130.7
[M-H]-	313.80836	124.6
[M+NH4]+	332.84946	136.2
[M+K]+	353.77880	114.6
[M+H-H2O]+	297.81290	138.8
[M+HCOO]-	359.81384	128.9
[M+CH3COO]-	373.82949	210.7
[M+Na-2H]-	335.79031	129.8
[M]+	314.81509	159.2
[M]-	314.81619	159.2

Literature stripe

literature stripe

Patent stripe

patents stripe