CID 82486890

2-(3-bromo-4-methoxyphenyl)-1,3,5-triazine

Structural Information

Molecular Formula
C10H8BrN3O
SMILES
COC1=C(C=C(C=C1)C2=NC=NC=N2)Br
InChI
InChI=1S/C10H8BrN3O/c1-15-9-3-2-7(4-8(9)11)10-13-5-12-6-14-10/h2-6H,1H3
InChIKey
HJBNZOQNGAZALB-UHFFFAOYSA-N
Compound name
2-(3-bromo-4-methoxyphenyl)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

264.98508 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.99236 148.8
[M+Na]+ 287.97430 155.0
[M+NH4]+ 283.01890 153.2
[M+K]+ 303.94824 154.1
[M-H]- 263.97780 150.3
[M+Na-2H]- 285.95975 155.3
[M]+ 264.98453 149.0
[M]- 264.98563 149.0
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