CID 29078491

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

Structural Information

Molecular Formula
C10H5BrF4N2
SMILES
C1=CC(=CC=C1N2C(=C(C=N2)Br)C(F)(F)F)F
InChI
InChI=1S/C10H5BrF4N2/c11-8-5-16-17(9(8)10(13,14)15)7-3-1-6(12)2-4-7/h1-5H
InChIKey
FWWHYNBPGRFZLV-UHFFFAOYSA-N
Compound name
4-bromo-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

307.9572 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.96448 159.0
[M+Na]+ 330.94642 173.7
[M-H]- 306.94992 161.9
[M+NH4]+ 325.99102 177.3
[M+K]+ 346.92036 161.0
[M+H-H2O]+ 290.95446 155.2
[M+HCOO]- 352.95540 175.0
[M+CH3COO]- 366.97105 198.8
[M+Na-2H]- 328.93187 163.4
[M]+ 307.95665 173.4
[M]- 307.95775 173.4
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

patents stripe