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 134.0
[M+Na]+ 201.05470 143.9
[M-H]- 177.05820 134.5
[M+NH4]+ 196.09930 150.8
[M+K]+ 217.02864 139.3
[M+H-H2O]+ 161.06274 124.8
[M+HCOO]- 223.06368 155.1
[M+CH3COO]- 237.07933 146.6
[M+Na-2H]- 199.04015 139.7
[M]+ 178.06493 129.6
[M]- 178.06603 129.6
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