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]+ 256.00389 148.8
[M+Na]+ 277.98583 160.7
[M-H]- 253.98933 151.0
[M+NH4]+ 273.03043 163.2
[M+K]+ 293.95977 154.9
[M+H-H2O]+ 237.99387 140.3
[M+HCOO]- 299.99481 160.5
[M+CH3COO]- 314.01046 161.0
[M+Na-2H]- 275.97128 155.5
[M]+ 254.99606 153.2
[M]- 254.99716 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.