CID 3058051

As-triazine, 5-(m-chlorophenyl)-3-phenoxy-

Structural Information

Molecular Formula
C15H10ClN3O
SMILES
C1=CC=C(C=C1)OC2=NC(=CN=N2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H10ClN3O/c16-12-6-4-5-11(9-12)14-10-17-19-15(18-14)20-13-7-2-1-3-8-13/h1-10H
InChIKey
KNTIYTJJGBYJHI-UHFFFAOYSA-N
Compound name
5-(3-chlorophenyl)-3-phenoxy-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.05124 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.05852 161.7
[M+Na]+ 306.04046 171.6
[M-H]- 282.04396 167.1
[M+NH4]+ 301.08506 173.5
[M+K]+ 322.01440 164.8
[M+H-H2O]+ 266.04850 150.6
[M+HCOO]- 328.04944 178.1
[M+CH3COO]- 342.06509 173.0
[M+Na-2H]- 304.02591 169.7
[M]+ 283.05069 163.9
[M]- 283.05179 163.9
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.