CID 3076266

130598-75-3

Structural Information

Molecular Formula
C12H8F3N3
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=CC3=NC=CN3N2
InChI
InChI=1S/C12H8F3N3/c13-12(14,15)9-3-1-2-8(6-9)10-7-11-16-4-5-18(11)17-10/h1-7,17H
InChIKey
BJEGYQWOUHBPDF-UHFFFAOYSA-N
Compound name
6-[3-(trifluoromethyl)phenyl]-5H-imidazo[1,2-b]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

251.06703 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.07431 150.0
[M+Na]+ 274.05625 161.8
[M-H]- 250.05975 150.0
[M+NH4]+ 269.10085 167.3
[M+K]+ 290.03019 155.9
[M+H-H2O]+ 234.06429 139.9
[M+HCOO]- 296.06523 167.7
[M+CH3COO]- 310.08088 162.0
[M+Na-2H]- 272.04170 154.6
[M]+ 251.06648 147.2
[M]- 251.06758 147.2
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