CID 3062584

98519-01-8

Structural Information

Molecular Formula
C16H15Cl2N3O3
SMILES
CC1C(OC(O1)(CN2C=NC=N2)C3=CC4=CC(=CC(=C4O3)Cl)Cl)C
InChI
InChI=1S/C16H15Cl2N3O3/c1-9-10(2)24-16(23-9,6-21-8-19-7-20-21)14-4-11-3-12(17)5-13(18)15(11)22-14/h3-5,7-10H,6H2,1-2H3
InChIKey
MOWWJUKSUIQMGV-UHFFFAOYSA-N
Compound name
1-[[2-(5,7-dichloro-1-benzofuran-2-yl)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.04904 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.05632 182.1
[M+Na]+ 390.03826 195.1
[M-H]- 366.04176 191.4
[M+NH4]+ 385.08286 196.3
[M+K]+ 406.01220 192.5
[M+H-H2O]+ 350.04630 175.3
[M+HCOO]- 412.04724 191.2
[M+CH3COO]- 426.06289 194.1
[M+Na-2H]- 388.02371 181.0
[M]+ 367.04849 191.4
[M]- 367.04959 191.4
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.