CID 23623795

Schembl760497

Structural Information

Molecular Formula

C₆H₆Br₂N₂

SMILES

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

InChI

InChI=1S/C6H6Br2N2/c1-6(8,4-10)5(7)2-3-9/h5H,2H2,1H3

InChIKey

TZRCUJQTBXZZIT-UHFFFAOYSA-N

Compound name

2,3-dibromo-2-methylpentanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 459
Patents: 263.88977 Da
Monoisotopic Mass: 1.5
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	131.0
[M+Na]+	286.878988	142.3
[M-H]-	262.882494	132.1
[M+NH4]+	281.923593	144.1
[M+K]+	302.852928	130.3
[M+H-H2O]+	246.887030	127.3
[M+HCOO]-	308.887971	144.3
[M+CH3COO]-	322.903621	224.3
[M+Na-2H]-	284.864436	136.0
[M]+	263.88922142	146.4
[M]-	263.89031858	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe