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]+ 284.058516 161.7
[M+Na]+ 306.040458 171.6
[M-H]- 282.043964 167.1
[M+NH4]+ 301.085063 173.5
[M+K]+ 322.014398 164.8
[M+H-H2O]+ 266.048500 150.6
[M+HCOO]- 328.049441 178.1
[M+CH3COO]- 342.065091 173.0
[M+Na-2H]- 304.025906 169.7
[M]+ 283.05069142 163.9
[M]- 283.05178858 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.