CID 2782796

2,4-dichloro-6-(4-fluorophenoxy)-1,3,5-triazine

Structural Information

Molecular Formula
C9H4Cl2FN3O
SMILES
C1=CC(=CC=C1OC2=NC(=NC(=N2)Cl)Cl)F
InChI
InChI=1S/C9H4Cl2FN3O/c10-7-13-8(11)15-9(14-7)16-6-3-1-5(12)2-4-6/h1-4H
InChIKey
AXBBKPROLZJRKM-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-(4-fluorophenoxy)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

258.97156 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.97884 145.9
[M+Na]+ 281.96078 158.3
[M-H]- 257.96428 146.9
[M+NH4]+ 277.00538 160.0
[M+K]+ 297.93472 152.2
[M+H-H2O]+ 241.96882 136.6
[M+HCOO]- 303.96976 156.9
[M+CH3COO]- 317.98541 158.0
[M+Na-2H]- 279.94623 152.7
[M]+ 258.97101 149.1
[M]- 258.97211 149.1
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