CID 3062587

1-((2-(5-chloro-2-benzofuranyl)-1,3-dioxolan-2-yl)methyl)-1h-1,2,4-triazole

Structural Information

Molecular Formula
C14H12ClN3O3
SMILES
C1COC(O1)(CN2C=NC=N2)C3=CC4=C(O3)C=CC(=C4)Cl
InChI
InChI=1S/C14H12ClN3O3/c15-11-1-2-12-10(5-11)6-13(21-12)14(19-3-4-20-14)7-18-9-16-8-17-18/h1-2,5-6,8-9H,3-4,7H2
InChIKey
HFBXMVJNVNWQML-UHFFFAOYSA-N
Compound name
1-[[2-(5-chloro-1-benzofuran-2-yl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.05673 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.06401 159.7
[M+Na]+ 328.04595 174.5
[M+NH4]+ 323.09055 169.0
[M+K]+ 344.01989 172.6
[M-H]- 304.04945 166.9
[M+Na-2H]- 326.03140 167.4
[M]+ 305.05618 164.4
[M]- 305.05728 164.4
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.