CID 3077669

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

Structural Information

Molecular Formula
C15H12ClN3O
SMILES
C1=CC=C(C=C1)N2C=C(N=N2)COC3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H12ClN3O/c16-12-5-4-8-15(9-12)20-11-13-10-19(18-17-13)14-6-2-1-3-7-14/h1-10H,11H2
InChIKey
XBRPUPHMARPWSY-UHFFFAOYSA-N
Compound name
4-[(3-chlorophenoxy)methyl]-1-phenyltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.0669 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07418 163.4
[M+Na]+ 308.05612 180.6
[M+NH4]+ 303.10072 171.9
[M+K]+ 324.03006 173.2
[M-H]- 284.05962 168.5
[M+Na-2H]- 306.04157 174.8
[M]+ 285.06635 167.7
[M]- 285.06745 167.7
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.