CID 10823208

178556-79-1

Structural Information

Molecular Formula
C9H7F3N4
SMILES
C1=CC(=CC=C1C2=NC(=NN2)N)C(F)(F)F
InChI
InChI=1S/C9H7F3N4/c10-9(11,12)6-3-1-5(2-4-6)7-14-8(13)16-15-7/h1-4H,(H3,13,14,15,16)
InChIKey
OPCMOBZOGLGRKI-UHFFFAOYSA-N
Compound name
5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

228.06229 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.069566 144.6
[M+Na]+ 251.051508 154.6
[M-H]- 227.055014 142.6
[M+NH4]+ 246.096113 159.3
[M+K]+ 267.025448 149.2
[M+H-H2O]+ 211.059550 133.9
[M+HCOO]- 273.060491 161.6
[M+CH3COO]- 287.076141 187.0
[M+Na-2H]- 249.036956 149.3
[M]+ 228.06174142 137.6
[M]- 228.06283858 137.6
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