CID 3058054

74417-14-4

Structural Information

Molecular Formula
C16H9Cl4N3O
SMILES
COC1=NC(=C(N=N1)C2=CC(=C(C=C2)Cl)Cl)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H9Cl4N3O/c1-24-16-21-14(8-2-4-10(17)12(19)6-8)15(22-23-16)9-3-5-11(18)13(20)7-9/h2-7H,1H3
InChIKey
GVFKFYGNPURBDY-UHFFFAOYSA-N
Compound name
5,6-bis(3,4-dichlorophenyl)-3-methoxy-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.94998 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.95726 180.7
[M+Na]+ 421.93920 192.6
[M-H]- 397.94270 182.9
[M+NH4]+ 416.98380 189.2
[M+K]+ 437.91314 185.3
[M+H-H2O]+ 381.94724 170.6
[M+HCOO]- 443.94818 180.3
[M+CH3COO]- 457.96383 189.2
[M+Na-2H]- 419.92465 181.8
[M]+ 398.94943 185.3
[M]- 398.95053 185.3
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.