CID 3073606

2-(5-bromobenzofuran-2-yl)imidazole hydrochloride

Structural Information

Molecular Formula
C11H7BrN2O
SMILES
C1=CC2=C(C=C1Br)C=C(O2)C3=NC=CN3
InChI
InChI=1S/C11H7BrN2O/c12-8-1-2-9-7(5-8)6-10(15-9)11-13-3-4-14-11/h1-6H,(H,13,14)
InChIKey
RLPSAPVRNKMMGC-UHFFFAOYSA-N
Compound name
2-(5-bromo-1-benzofuran-2-yl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

261.97418 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.98146 149.2
[M+Na]+ 284.96340 163.8
[M-H]- 260.96690 157.5
[M+NH4]+ 280.00800 169.9
[M+K]+ 300.93734 153.2
[M+H-H2O]+ 244.97144 149.4
[M+HCOO]- 306.97238 170.5
[M+CH3COO]- 320.98803 165.0
[M+Na-2H]- 282.94885 156.7
[M]+ 261.97363 169.8
[M]- 261.97473 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe