CID 24694705

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

Structural Information

Molecular Formula
C8H6BrFN4
SMILES
C1=CC(=C(C=C1Br)F)C2=NC(=NN2)N
InChI
InChI=1S/C8H6BrFN4/c9-4-1-2-5(6(10)3-4)7-12-8(11)14-13-7/h1-3H,(H3,11,12,13,14)
InChIKey
JRDOCQNZZSKQAK-UHFFFAOYSA-N
Compound name
5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.97598 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.983256 144.6
[M+Na]+ 278.965198 158.1
[M-H]- 254.968704 148.2
[M+NH4]+ 274.009803 162.3
[M+K]+ 294.939138 145.0
[M+H-H2O]+ 238.973240 141.9
[M+HCOO]- 300.974181 163.5
[M+CH3COO]- 314.989831 158.6
[M+Na-2H]- 276.950646 150.5
[M]+ 255.97543142 159.4
[M]- 255.97652858 159.4
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

No patent data available for this compound.