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

6
Patents

192.08113 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08841 138.1
[M+Na]+ 215.07035 148.0
[M-H]- 191.07385 139.8
[M+NH4]+ 210.11495 155.0
[M+K]+ 231.04429 144.0
[M+H-H2O]+ 175.07839 128.4
[M+HCOO]- 237.07933 160.4
[M+CH3COO]- 251.09498 150.9
[M+Na-2H]- 213.05580 143.7
[M]+ 192.08058 135.8
[M]- 192.08168 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