CID 11669615

80050-87-9

Structural Information

Molecular Formula
C13H9Cl6N3O2
SMILES
COC1=C(C=C(C=C1)C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)OC
InChI
InChI=1S/C13H9Cl6N3O2/c1-23-7-4-3-6(5-8(7)24-2)9-20-10(12(14,15)16)22-11(21-9)13(17,18)19/h3-5H,1-2H3
InChIKey
RLYHOBWTMJVPGB-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1722
Patents

448.8826 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.88988 204.5
[M+Na]+ 471.87182 217.8
[M+NH4]+ 466.91642 209.3
[M+K]+ 487.84576 209.6
[M-H]- 447.87532 203.6
[M+Na-2H]- 469.85727 208.6
[M]+ 448.88205 207.5
[M]- 448.88315 207.5
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