CID 3077671

135034-74-1

Structural Information

Molecular Formula
C15H11Cl2N3O
SMILES
C1=CC=C(C=C1)N2C=C(N=N2)COC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H11Cl2N3O/c16-11-6-7-15(14(17)8-11)21-10-12-9-20(19-18-12)13-4-2-1-3-5-13/h1-9H,10H2
InChIKey
GXIKPZVXWDARIR-UHFFFAOYSA-N
Compound name
4-[(2,4-dichlorophenoxy)methyl]-1-phenyltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.02792 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.03520 169.8
[M+Na]+ 342.01714 187.6
[M+NH4]+ 337.06174 178.3
[M+K]+ 357.99108 179.6
[M-H]- 318.02064 174.6
[M+Na-2H]- 340.00259 180.6
[M]+ 319.02737 174.5
[M]- 319.02847 174.5
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.