CID 277410

2,5-dibromohexanediamide

Structural Information

Molecular Formula
C6H10Br2N2O2
SMILES
C(CC(C(=O)N)Br)C(C(=O)N)Br
InChI
InChI=1S/C6H10Br2N2O2/c7-3(5(9)11)1-2-4(8)6(10)12/h3-4H,1-2H2,(H2,9,11)(H2,10,12)
InChIKey
PLSXNAQEJOGNKQ-UHFFFAOYSA-N
Compound name
2,5-dibromohexanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

299.9109 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.918176 148.8
[M+Na]+ 322.900118 156.2
[M-H]- 298.903624 151.2
[M+NH4]+ 317.944723 165.8
[M+K]+ 338.874058 140.0
[M+H-H2O]+ 282.908160 153.5
[M+HCOO]- 344.909101 162.1
[M+CH3COO]- 358.924751 207.5
[M+Na-2H]- 320.885566 150.1
[M]+ 299.91035142 178.6
[M]- 299.91144858 178.6
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