CID 3734662

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
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

No literature data available for this compound.

Patent stripe

patents stripe