CID 61693034

1291723-68-6

Structural Information

Molecular Formula
C10H9F3N4
SMILES
C1=CC(=CC=C1CN2C=NC(=N2)N)C(F)(F)F
InChI
InChI=1S/C10H9F3N4/c11-10(12,13)8-3-1-7(2-4-8)5-17-6-15-9(14)16-17/h1-4,6H,5H2,(H2,14,16)
InChIKey
IMHLRERCCAYEFX-UHFFFAOYSA-N
Compound name
1-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.07793 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08521 148.9
[M+Na]+ 265.06715 158.9
[M-H]- 241.07065 148.1
[M+NH4]+ 260.11175 163.8
[M+K]+ 281.04109 154.2
[M+H-H2O]+ 225.07519 137.7
[M+HCOO]- 287.07613 167.0
[M+CH3COO]- 301.09178 192.4
[M+Na-2H]- 263.05260 153.5
[M]+ 242.07738 144.1
[M]- 242.07848 144.1
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.