CID 6334129

16998-93-9

Structural Information

Molecular Formula

C₆H₄B₂Br₂N₄

SMILES

[B-]1N2C=C(C=[N+]2[B-]N3[N+]1=CC(=C3)Br)Br

InChI

InChI=1S/C6H4B2Br2N4/c9-5-1-11-7-13-3-6(10)4-14(13)8-12(11)2-5/h1-4H

InChIKey

WSJBILWWGJIHKJ-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 311.89886 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]+	312.90614	158.0
[M+Na]+	334.88808	170.8
[M-H]-	310.89158	162.0
[M+NH4]+	329.93268	175.9
[M+K]+	350.86202	149.9
[M+H-H2O]+	294.89612	172.8
[M+HCOO]-	356.89706	170.9
[M+CH3COO]-	370.91271	192.1
[M+Na-2H]-	332.87353	167.3
[M]+	311.89831	188.7
[M]-	311.89941	188.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.