CID 3058043

As-triazine, 5-(2,4-dichlorophenyl)-3-methoxy-

Structural Information

Molecular Formula
C10H7Cl2N3O
SMILES
COC1=NC(=CN=N1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H7Cl2N3O/c1-16-10-14-9(5-13-15-10)7-3-2-6(11)4-8(7)12/h2-5H,1H3
InChIKey
KYVCWKCFNPVUPG-UHFFFAOYSA-N
Compound name
5-(2,4-dichlorophenyl)-3-methoxy-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.99661 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.003886 148.8
[M+Na]+ 277.985828 160.7
[M-H]- 253.989334 151.0
[M+NH4]+ 273.030433 163.2
[M+K]+ 293.959768 154.9
[M+H-H2O]+ 237.993870 140.3
[M+HCOO]- 299.994811 160.5
[M+CH3COO]- 314.010461 161.0
[M+Na-2H]- 275.971276 155.5
[M]+ 254.99606142 153.2
[M]- 254.99715858 153.2
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.