CID 7019340

832740-71-3

Structural Information

Molecular Formula
C9H9FN4
SMILES
C1=CC(=CC(=C1)F)CN2C=NC(=N2)N
InChI
InChI=1S/C9H9FN4/c10-8-3-1-2-7(4-8)5-14-6-12-9(11)13-14/h1-4,6H,5H2,(H2,11,13)
InChIKey
ZPGFBVGIPURWSG-UHFFFAOYSA-N
Compound name
1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

192.08113 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.088406 138.1
[M+Na]+ 215.070348 148.0
[M-H]- 191.073854 139.8
[M+NH4]+ 210.114953 155.0
[M+K]+ 231.044288 144.0
[M+H-H2O]+ 175.078390 128.4
[M+HCOO]- 237.079331 160.4
[M+CH3COO]- 251.094981 150.9
[M+Na-2H]- 213.055796 143.7
[M]+ 192.08058142 135.8
[M]- 192.08167858 135.8
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