CID 10968260

4-bromo-1-phenyl-5-(trifluoromethyl)-1h-pyrazole

Structural Information

Molecular Formula
C10H6BrF3N2
SMILES
C1=CC=C(C=C1)N2C(=C(C=N2)Br)C(F)(F)F
InChI
InChI=1S/C10H6BrF3N2/c11-8-6-15-16(9(8)10(12,13)14)7-4-2-1-3-5-7/h1-6H
InChIKey
BBNIPZYHEDWGPH-UHFFFAOYSA-N
Compound name
4-bromo-1-phenyl-5-(trifluoromethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.96664 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.97392 166.2
[M+Na]+ 312.95586 168.2
[M+NH4]+ 308.00046 168.7
[M+K]+ 328.92980 168.7
[M-H]- 288.95936 163.2
[M+Na-2H]- 310.94131 168.3
[M]+ 289.96609 164.4
[M]- 289.96719 164.4
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

No patent data available for this compound.