CID 174185

79771-30-5

Structural Information

Molecular Formula
C15H11Cl6N3O2
SMILES
C1=CC(=CC=C1C=CC2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)OCCO
InChI
InChI=1S/C15H11Cl6N3O2/c16-14(17,18)12-22-11(23-13(24-12)15(19,20)21)6-3-9-1-4-10(5-2-9)26-8-7-25/h1-6,25H,7-8H2
InChIKey
DYNCQGWLQDAERY-UHFFFAOYSA-N
Compound name
2-[4-[2-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]ethenyl]phenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

116
Patents

474.89825 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.90553 197.0
[M+Na]+ 497.88747 203.2
[M-H]- 473.89097 191.2
[M+NH4]+ 492.93207 200.8
[M+K]+ 513.86141 198.5
[M+H-H2O]+ 457.89551 188.5
[M+HCOO]- 519.89645 181.5
[M+CH3COO]- 533.91210 224.2
[M+Na-2H]- 495.87292 195.5
[M]+ 474.89770 195.0
[M]- 474.89880 195.0
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