CID 83877977

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

Structural Information

Molecular Formula
C9H9FN4
SMILES
CN1C(=NC(=N1)N)C2=CC=C(C=C2)F
InChI
InChI=1S/C9H9FN4/c1-14-8(12-9(11)13-14)6-2-4-7(10)5-3-6/h2-5H,1H3,(H2,11,13)
InChIKey
XVYKDHWYPNQQEK-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-1-methyl-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

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.088406 138.7
[M+Na]+ 215.070348 149.5
[M-H]- 191.073854 140.8
[M+NH4]+ 210.114953 155.9
[M+K]+ 231.044288 145.5
[M+H-H2O]+ 175.078390 129.3
[M+HCOO]- 237.079331 160.9
[M+CH3COO]- 251.094981 151.8
[M+Na-2H]- 213.055796 143.5
[M]+ 192.08058142 136.8
[M]- 192.08167858 136.8
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

No patent data available for this compound.