CID 16773914

4-(1h-pyrazol-1-yl)-2-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C10H8F3N3
SMILES
C1=CN(N=C1)C2=CC(=C(C=C2)N)C(F)(F)F
InChI
InChI=1S/C10H8F3N3/c11-10(12,13)8-6-7(2-3-9(8)14)16-5-1-4-15-16/h1-6H,14H2
InChIKey
HRULHPJPZUKSLZ-UHFFFAOYSA-N
Compound name
4-pyrazol-1-yl-2-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

227.06703 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.07431 144.2
[M+Na]+ 250.05625 154.2
[M-H]- 226.05975 144.8
[M+NH4]+ 245.10085 161.1
[M+K]+ 266.03019 149.7
[M+H-H2O]+ 210.06429 134.0
[M+HCOO]- 272.06523 163.7
[M+CH3COO]- 286.08088 189.6
[M+Na-2H]- 248.04170 148.9
[M]+ 227.06648 138.9
[M]- 227.06758 138.9
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.