CID 7176091

5-(4-bromophenyl)-1,2,4-triazin-3-amine

Structural Information

Molecular Formula
C9H7BrN4
SMILES
C1=CC(=CC=C1C2=CN=NC(=N2)N)Br
InChI
InChI=1S/C9H7BrN4/c10-7-3-1-6(2-4-7)8-5-12-14-9(11)13-8/h1-5H,(H2,11,13,14)
InChIKey
YVDVINSIUHWSPX-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

249.98541 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.99269 142.3
[M+Na]+ 272.97463 154.9
[M-H]- 248.97813 147.8
[M+NH4]+ 268.01923 158.9
[M+K]+ 288.94857 142.5
[M+H-H2O]+ 232.98267 140.0
[M+HCOO]- 294.98361 162.5
[M+CH3COO]- 308.99926 156.6
[M+Na-2H]- 270.96008 152.3
[M]+ 249.98486 159.2
[M]- 249.98596 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe