CID 3062594

1-((2-(5,7-dichloro-2-benzofuranyl)-1,3-dioxolan-2-yl)methyl)-1h-imidazole

Structural Information

Molecular Formula
C15H12Cl2N2O3
SMILES
C1COC(O1)(CN2C=CN=C2)C3=CC4=CC(=CC(=C4O3)Cl)Cl
InChI
InChI=1S/C15H12Cl2N2O3/c16-11-5-10-6-13(22-14(10)12(17)7-11)15(20-3-4-21-15)8-19-2-1-18-9-19/h1-2,5-7,9H,3-4,8H2
InChIKey
OJZULSXXGZQUFE-UHFFFAOYSA-N
Compound name
1-[[2-(5,7-dichloro-1-benzofuran-2-yl)-1,3-dioxolan-2-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

338.0225 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.02978 173.7
[M+Na]+ 361.01172 185.7
[M-H]- 337.01522 183.8
[M+NH4]+ 356.05632 189.9
[M+K]+ 376.98566 183.2
[M+H-H2O]+ 321.01976 167.7
[M+HCOO]- 383.02070 184.6
[M+CH3COO]- 397.03635 186.3
[M+Na-2H]- 358.99717 174.9
[M]+ 338.02195 181.7
[M]- 338.02305 181.7
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