CID 61948

1,2-dibromo-2,4-dicyanobutane

Structural Information

Molecular Formula

C₆H₆Br₂N₂

SMILES

C(CC(CBr)(C#N)Br)C#N

InChI

InChI=1S/C6H6Br2N2/c7-4-6(8,5-10)2-1-3-9/h1-2,4H2

InChIKey

DHVLDKHFGIVEIP-UHFFFAOYSA-N

Compound name

2-bromo-2-(bromomethyl)pentanedinitrile

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 138
References: 12788
Patents: 263.88977 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]+	264.897046	128.9
[M+Na]+	286.878988	140.4
[M-H]-	262.882494	130.0
[M+NH4]+	281.923593	142.2
[M+K]+	302.852928	128.2
[M+H-H2O]+	246.887030	125.3
[M+HCOO]-	308.887971	142.8
[M+CH3COO]-	322.903621	223.9
[M+Na-2H]-	284.864436	134.7
[M]+	263.88922142	144.7
[M]-	263.89031858	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe