CID 21105019

4-[5-(trifluoromethyl)-1h-pyrazol-1-yl]aniline hydrochloride

Structural Information

Molecular Formula
C10H8F3N3
SMILES
C1=CC(=CC=C1N)N2C(=CC=N2)C(F)(F)F
InChI
InChI=1S/C10H8F3N3/c11-10(12,13)9-5-6-15-16(9)8-3-1-7(14)2-4-8/h1-6H,14H2
InChIKey
WHXPARGWUUDDPF-UHFFFAOYSA-N
Compound name
4-[5-(trifluoromethyl)pyrazol-1-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 148.0
[M+Na]+ 250.05625 157.3
[M+NH4]+ 245.10085 153.3
[M+K]+ 266.03019 154.0
[M-H]- 226.05975 146.1
[M+Na-2H]- 248.04170 153.6
[M]+ 227.06648 148.4
[M]- 227.06758 148.4
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

patents stripe