CID 61279752

3-(5-methyl-1h-1,2,4-triazol-3-yl)-5-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C10H9F3N4
SMILES
CC1=NC(=NN1)C2=CC(=CC(=C2)N)C(F)(F)F
InChI
InChI=1S/C10H9F3N4/c1-5-15-9(17-16-5)6-2-7(10(11,12)13)4-8(14)3-6/h2-4H,14H2,1H3,(H,15,16,17)
InChIKey
GOJGZQUIMGDXNT-UHFFFAOYSA-N
Compound name
3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.07793 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08521 151.2
[M+Na]+ 265.06715 160.0
[M+NH4]+ 260.11175 155.4
[M+K]+ 281.04109 157.5
[M-H]- 241.07065 148.1
[M+Na-2H]- 263.05260 155.6
[M]+ 242.07738 151.1
[M]- 242.07848 151.1
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.