CID 75355917

5-ethyl-1-[4-(trifluoromethyl)phenyl]-1h-pyrazol-4-amine hydrochloride

Structural Information

Molecular Formula
C12H12F3N3
SMILES
CCC1=C(C=NN1C2=CC=C(C=C2)C(F)(F)F)N
InChI
InChI=1S/C12H12F3N3/c1-2-11-10(16)7-17-18(11)9-5-3-8(4-6-9)12(13,14)15/h3-7H,2,16H2,1H3
InChIKey
DDZZKOBQMKKUDQ-UHFFFAOYSA-N
Compound name
5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine
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 153.9
[M+Na]+ 278.08755 163.9
[M-H]- 254.09105 154.5
[M+NH4]+ 273.13215 169.9
[M+K]+ 294.06149 159.0
[M+H-H2O]+ 238.09559 143.5
[M+HCOO]- 300.09653 172.7
[M+CH3COO]- 314.11218 196.8
[M+Na-2H]- 276.07300 156.7
[M]+ 255.09778 149.6
[M]- 255.09888 149.6
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

No patent data available for this compound.