CID 3009094

1-[2-(benzofuran-2-ylmethoxy)-2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazole

Structural Information

Molecular Formula
C19H15Cl2N3O2
SMILES
C1=CC=C2C(=C1)C=C(O2)COC(CN3C=NC=N3)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C19H15Cl2N3O2/c20-14-5-6-16(17(21)8-14)19(9-24-12-22-11-23-24)25-10-15-7-13-3-1-2-4-18(13)26-15/h1-8,11-12,19H,9-10H2
InChIKey
BKMZSCVOMQORSK-UHFFFAOYSA-N
Compound name
1-[2-(1-benzofuran-2-ylmethoxy)-2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.05414 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.06142 187.8
[M+Na]+ 410.04336 198.8
[M-H]- 386.04686 195.1
[M+NH4]+ 405.08796 199.5
[M+K]+ 426.01730 192.7
[M+H-H2O]+ 370.05140 177.7
[M+HCOO]- 432.05234 198.7
[M+CH3COO]- 446.06799 198.3
[M+Na-2H]- 408.02881 188.7
[M]+ 387.05359 196.3
[M]- 387.05469 196.3
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.