CID 684850

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

Structural Information

Molecular Formula
C8H7FN4
SMILES
C1=CC=C(C(=C1)C2=NC(=NN2)N)F
InChI
InChI=1S/C8H7FN4/c9-6-4-2-1-3-5(6)7-11-8(10)13-12-7/h1-4H,(H3,10,11,12,13)
InChIKey
PFTYWMOSGGHMSR-UHFFFAOYSA-N
Compound name
5-(2-fluorophenyl)-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

178.06548 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07276 134.5
[M+Na]+ 201.05470 146.4
[M+NH4]+ 196.09930 141.4
[M+K]+ 217.02864 142.8
[M-H]- 177.05820 135.2
[M+Na-2H]- 199.04015 141.8
[M]+ 178.06493 136.0
[M]- 178.06603 136.0
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