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 155.4
[M+Na]+ 312.95586 169.2
[M-H]- 288.95936 159.2
[M+NH4]+ 308.00046 174.2
[M+K]+ 328.92980 157.0
[M+H-H2O]+ 272.96390 152.3
[M+HCOO]- 334.96484 172.4
[M+CH3COO]- 348.98049 195.1
[M+Na-2H]- 310.94131 161.1
[M]+ 289.96609 170.6
[M]- 289.96719 170.6
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.