CID 2859280

5-(2-bromophenyl)-4h-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C8H7BrN4
SMILES
C1=CC=C(C(=C1)C2=NC(=NN2)N)Br
InChI
InChI=1S/C8H7BrN4/c9-6-4-2-1-3-5(6)7-11-8(10)13-12-7/h1-4H,(H3,10,11,12,13)
InChIKey
CXRHBUWCLZAXAC-UHFFFAOYSA-N
Compound name
5-(2-bromophenyl)-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

237.98541 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.99269 148.3
[M+Na]+ 260.97463 151.6
[M+NH4]+ 256.01923 152.2
[M+K]+ 276.94857 153.2
[M-H]- 236.97813 148.9
[M+Na-2H]- 258.96008 152.4
[M]+ 237.98486 147.6
[M]- 237.98596 147.6
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