CID 1899716

1-phenyl-4-((2,4,6-trichlorophenoxy)methyl)-1h-1,2,3-triazole

Structural Information

Molecular Formula
C15H10Cl3N3O
SMILES
C1=CC=C(C=C1)N2C=C(N=N2)COC3=C(C=C(C=C3Cl)Cl)Cl
InChI
InChI=1S/C15H10Cl3N3O/c16-10-6-13(17)15(14(18)7-10)22-9-11-8-21(20-19-11)12-4-2-1-3-5-12/h1-8H,9H2
InChIKey
GOMGCKKSMHPHPO-UHFFFAOYSA-N
Compound name
1-phenyl-4-[(2,4,6-trichlorophenoxy)methyl]triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.98895 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.99623 174.9
[M+Na]+ 375.97817 186.3
[M-H]- 351.98167 178.8
[M+NH4]+ 371.02277 186.8
[M+K]+ 391.95211 178.8
[M+H-H2O]+ 335.98621 164.7
[M+HCOO]- 397.98715 181.2
[M+CH3COO]- 412.00280 185.0
[M+Na-2H]- 373.96362 176.2
[M]+ 352.98840 179.8
[M]- 352.98950 179.8
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.