CID 3062598

98519-18-7

Structural Information

Molecular Formula
C15H13ClN2O3
SMILES
C1COC(O1)(CN2C=CN=C2)C3=CC4=C(O3)C=CC(=C4)Cl
InChI
InChI=1S/C15H13ClN2O3/c16-12-1-2-13-11(7-12)8-14(21-13)15(19-5-6-20-15)9-18-4-3-17-10-18/h1-4,7-8,10H,5-6,9H2
InChIKey
JUVXPOMHSVYCJB-UHFFFAOYSA-N
Compound name
1-[[2-(5-chloro-1-benzofuran-2-yl)-1,3-dioxolan-2-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.06146 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.06874 164.5
[M+Na]+ 327.05068 175.5
[M-H]- 303.05418 175.3
[M+NH4]+ 322.09528 181.5
[M+K]+ 343.02462 174.3
[M+H-H2O]+ 287.05872 158.5
[M+HCOO]- 349.05966 180.8
[M+CH3COO]- 363.07531 177.9
[M+Na-2H]- 325.03613 167.5
[M]+ 304.06091 171.3
[M]- 304.06201 171.3
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

No patent data available for this compound.