CID 11412867

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

Structural Information

Molecular Formula
C9H9FN4
SMILES
C1=CC(=CC(=C1)F)CC2=NC(=NN2)N
InChI
InChI=1S/C9H9FN4/c10-7-3-1-2-6(4-7)5-8-12-9(11)14-13-8/h1-4H,5H2,(H3,11,12,13,14)
InChIKey
FCZVORHREVKMLY-UHFFFAOYSA-N
Compound name
5-[(3-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]+ 193.088406 138.5
[M+Na]+ 215.070348 148.0
[M-H]- 191.073854 138.8
[M+NH4]+ 210.114953 154.7
[M+K]+ 231.044288 143.1
[M+H-H2O]+ 175.078390 129.1
[M+HCOO]- 237.079331 159.3
[M+CH3COO]- 251.094981 150.6
[M+Na-2H]- 213.055796 143.6
[M]+ 192.08058142 134.4
[M]- 192.08167858 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.