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

19
Patents

264.98508 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.992356 145.2
[M+Na]+ 287.974298 158.2
[M-H]- 263.977804 151.0
[M+NH4]+ 283.018903 161.8
[M+K]+ 303.948238 146.9
[M+H-H2O]+ 247.982340 143.2
[M+HCOO]- 309.983281 164.9
[M+CH3COO]- 323.998931 159.8
[M+Na-2H]- 285.959746 155.3
[M]+ 264.98453142 165.3
[M]- 264.98562858 165.3
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