CID 33499

S-triazine, 4,6-bis(pentachlorophenoxy)-2-chloro-

Structural Information

Molecular Formula
C15Cl11N3O2
SMILES
C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)OC2=NC(=NC(=N2)Cl)OC3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C15Cl11N3O2/c16-1-3(18)7(22)11(8(23)4(1)19)30-14-27-13(26)28-15(29-14)31-12-9(24)5(20)2(17)6(21)10(12)25
InChIKey
AYCYRPHLXAYENC-UHFFFAOYSA-N
Compound name
2-chloro-4,6-bis(2,3,4,5,6-pentachlorophenoxy)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

638.65643 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.66371 230.2
[M+Na]+ 661.64565 230.5
[M-H]- 637.64915 216.3
[M+NH4]+ 656.69025 225.6
[M+K]+ 677.61959 236.4
[M+H-H2O]+ 621.65369 220.8
[M+HCOO]- 683.65463 202.5
[M+CH3COO]- 697.67028 223.5
[M+Na-2H]- 659.63110 214.2
[M]+ 638.65588 214.6
[M]- 638.65698 214.6
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