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
9
Annotation Hits

138
References

11744
Patents

263.88977 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.89705 128.9
[M+Na]+ 286.87899 140.4
[M-H]- 262.88249 130.0
[M+NH4]+ 281.92359 142.2
[M+K]+ 302.85293 128.2
[M+H-H2O]+ 246.88703 125.3
[M+HCOO]- 308.88797 142.8
[M+CH3COO]- 322.90362 223.9
[M+Na-2H]- 284.86444 134.7
[M]+ 263.88922 144.7
[M]- 263.89032 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe