CID 12039372

42880-07-9

Structural Information

Molecular Formula
C15H11Cl6N3O2
SMILES
COC1=C(C=C(C=C1)/C=C/C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)OC
InChI
InChI=1S/C15H11Cl6N3O2/c1-25-9-5-3-8(7-10(9)26-2)4-6-11-22-12(14(16,17)18)24-13(23-11)15(19,20)21/h3-7H,1-2H3/b6-4+
InChIKey
ZJRNXDIVAGHETA-GQCTYLIASA-N
Compound name
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1305
Patents

474.89825 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.90553 210.6
[M+Na]+ 497.88747 223.7
[M+NH4]+ 492.93207 215.0
[M+K]+ 513.86141 215.0
[M-H]- 473.89097 209.5
[M+Na-2H]- 495.87292 214.2
[M]+ 474.89770 213.5
[M]- 474.89880 213.5
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

patents stripe