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]+ 193.08841 139.3
[M+Na]+ 215.07035 152.0
[M+NH4]+ 210.11495 146.4
[M+K]+ 231.04429 147.9
[M-H]- 191.07385 140.6
[M+Na-2H]- 213.05580 146.7
[M]+ 192.08058 141.2
[M]- 192.08168 141.2
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.