CID 12746690

2-(3,5-dimethyl-1h-pyrazol-1-yl)-5-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C12H12F3N3
SMILES
CC1=CC(=NN1C2=C(C=C(C=C2)C(F)(F)F)N)C
InChI
InChI=1S/C12H12F3N3/c1-7-5-8(2)18(17-7)11-4-3-9(6-10(11)16)12(13,14)15/h3-6H,16H2,1-2H3
InChIKey
JYLBIADCRGRDOY-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.09833 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10561 154.1
[M+Na]+ 278.08755 165.1
[M-H]- 254.09105 155.2
[M+NH4]+ 273.13215 170.5
[M+K]+ 294.06149 160.2
[M+H-H2O]+ 238.09559 144.1
[M+HCOO]- 300.09653 172.9
[M+CH3COO]- 314.11218 198.0
[M+Na-2H]- 276.07300 156.2
[M]+ 255.09778 150.3
[M]- 255.09888 150.3
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.