CID 3058056

As-triazine, 3-(3,4-dichlorophenoxy)-5,6-diphenyl-

Structural Information

Molecular Formula
C21H13Cl2N3O
SMILES
C1=CC=C(C=C1)C2=C(N=NC(=N2)OC3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4
InChI
InChI=1S/C21H13Cl2N3O/c22-17-12-11-16(13-18(17)23)27-21-24-19(14-7-3-1-4-8-14)20(25-26-21)15-9-5-2-6-10-15/h1-13H
InChIKey
NKXSDKJIFHLVQO-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenoxy)-5,6-diphenyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.04358 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.05086 189.8
[M+Na]+ 416.03280 200.1
[M-H]- 392.03630 197.1
[M+NH4]+ 411.07740 197.3
[M+K]+ 432.00674 190.9
[M+H-H2O]+ 376.04084 176.7
[M+HCOO]- 438.04178 199.8
[M+CH3COO]- 452.05743 198.9
[M+Na-2H]- 414.01825 194.4
[M]+ 393.04303 193.4
[M]- 393.04413 193.4
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.