CID 3735928

5-[(4-fluorophenyl)methyl]-4h-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C9H9FN4
SMILES
C1=CC(=CC=C1CC2=NC(=NN2)N)F
InChI
InChI=1S/C9H9FN4/c10-7-3-1-6(2-4-7)5-8-12-9(11)14-13-8/h1-4H,5H2,(H3,11,12,13,14)
InChIKey
WKTGLFHOWNWTRI-UHFFFAOYSA-N
Compound name
5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08113 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08841 138.5
[M+Na]+ 215.07035 148.0
[M-H]- 191.07385 138.8
[M+NH4]+ 210.11495 154.7
[M+K]+ 231.04429 143.1
[M+H-H2O]+ 175.07839 129.1
[M+HCOO]- 237.07933 159.3
[M+CH3COO]- 251.09498 150.6
[M+Na-2H]- 213.05580 143.6
[M]+ 192.08058 134.4
[M]- 192.08168 134.4
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.