CID 69057239

847774-89-4

Structural Information

Molecular Formula
C14H16F3N3
SMILES
CC(C)(C)N1C(=CC(=N1)C2=CC=C(C=C2)C(F)(F)F)N
InChI
InChI=1S/C14H16F3N3/c1-13(2,3)20-12(18)8-11(19-20)9-4-6-10(7-5-9)14(15,16)17/h4-8H,18H2,1-3H3
InChIKey
OBAKGHNWLDGHBT-UHFFFAOYSA-N
Compound name
2-tert-butyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

283.12964 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13692 163.8
[M+Na]+ 306.11886 173.4
[M-H]- 282.12236 164.5
[M+NH4]+ 301.16346 178.9
[M+K]+ 322.09280 168.6
[M+H-H2O]+ 266.12690 153.8
[M+HCOO]- 328.12784 180.3
[M+CH3COO]- 342.14349 202.6
[M+Na-2H]- 304.10431 166.4
[M]+ 283.12909 159.5
[M]- 283.13019 159.5
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