CID 3006864

1-[2-(2,4-dibromophenyl)hexyl]imidazole

Structural Information

Molecular Formula
C15H18Br2N2
SMILES
CCCCC(CN1C=CN=C1)C2=C(C=C(C=C2)Br)Br
InChI
InChI=1S/C15H18Br2N2/c1-2-3-4-12(10-19-8-7-18-11-19)14-6-5-13(16)9-15(14)17/h5-9,11-12H,2-4,10H2,1H3
InChIKey
PVALZIJDBKOPNB-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dibromophenyl)hexyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.98367 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.99095 165.7
[M+Na]+ 406.97289 175.7
[M-H]- 382.97639 172.7
[M+NH4]+ 402.01749 181.8
[M+K]+ 422.94683 160.0
[M+H-H2O]+ 366.98093 172.7
[M+HCOO]- 428.98187 180.0
[M+CH3COO]- 442.99752 216.4
[M+Na-2H]- 404.95834 169.4
[M]+ 383.98312 201.0
[M]- 383.98422 201.0
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

No patent data available for this compound.