CID 79501028

1955499-10-1

Structural Information

Molecular Formula
C9H9FN4
SMILES
CC1=C(N=NN1C2=CC=C(C=C2)F)N
InChI
InChI=1S/C9H9FN4/c1-6-9(11)12-13-14(6)8-4-2-7(10)3-5-8/h2-5H,11H2,1H3
InChIKey
ZTFDLJHUUWDGPY-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-5-methyltriazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08113 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08841 138.7
[M+Na]+ 215.07035 149.5
[M-H]- 191.07385 140.8
[M+NH4]+ 210.11495 155.9
[M+K]+ 231.04429 145.5
[M+H-H2O]+ 175.07839 129.3
[M+HCOO]- 237.07933 160.9
[M+CH3COO]- 251.09498 151.8
[M+Na-2H]- 213.05580 143.5
[M]+ 192.08058 136.8
[M]- 192.08168 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.