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 150.4
[M+Na]+ 265.06715 159.4
[M+NH4]+ 260.11175 155.0
[M+K]+ 281.04109 156.5
[M-H]- 241.07065 147.8
[M+Na-2H]- 263.05260 155.7
[M]+ 242.07738 150.5
[M]- 242.07848 150.5
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.