CID 7064033

2-(1h-pyrazol-1-yl)-5-(trifluoromethyl)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

99
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

literature stripe

Patent stripe

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