CID 2060573

778611-16-8

Structural Information

Molecular Formula
C13H16FN3
SMILES
CC(C)(C)C1=NN(C(=C1)N)C2=CC=C(C=C2)F
InChI
InChI=1S/C13H16FN3/c1-13(2,3)11-8-12(15)17(16-11)10-6-4-9(14)5-7-10/h4-8H,15H2,1-3H3
InChIKey
BYZGQEFEOZXWRO-UHFFFAOYSA-N
Compound name
5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

233.13283 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14011 153.3
[M+Na]+ 256.12205 162.9
[M-H]- 232.12555 156.6
[M+NH4]+ 251.16665 170.5
[M+K]+ 272.09599 158.7
[M+H-H2O]+ 216.13009 144.9
[M+HCOO]- 278.13103 174.0
[M+CH3COO]- 292.14668 194.3
[M+Na-2H]- 254.10750 156.8
[M]+ 233.13228 151.8
[M]- 233.13338 151.8
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