CID 3858351

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

Structural Information

Molecular Formula
C9H4BrCl2N3O
SMILES
C1=CC(=CC=C1OC2=NC(=NC(=N2)Cl)Cl)Br
InChI
InChI=1S/C9H4BrCl2N3O/c10-5-1-3-6(4-2-5)16-9-14-7(11)13-8(12)15-9/h1-4H
InChIKey
PBAPUAPJFVDUGU-UHFFFAOYSA-N
Compound name
2-(4-bromophenoxy)-4,6-dichloro-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.89148 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.89876 147.2
[M+Na]+ 341.88070 162.6
[M-H]- 317.88420 152.5
[M+NH4]+ 336.92530 163.2
[M+K]+ 357.85464 149.0
[M+H-H2O]+ 301.88874 146.0
[M+HCOO]- 363.88968 157.7
[M+CH3COO]- 377.90533 161.6
[M+Na-2H]- 339.86615 156.2
[M]+ 318.89093 169.7
[M]- 318.89203 169.7
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