CID 762931

3-(4-fluorophenyl)-5-(trifluoromethyl)-1h-pyrazole

Structural Information

Molecular Formula
C10H6F4N2
SMILES
C1=CC(=CC=C1C2=NNC(=C2)C(F)(F)F)F
InChI
InChI=1S/C10H6F4N2/c11-7-3-1-6(2-4-7)8-5-9(16-15-8)10(12,13)14/h1-5H,(H,15,16)
InChIKey
NDVPIRBTOQYYHD-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

230.0467 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.053976 142.9
[M+Na]+ 253.035918 153.4
[M-H]- 229.039424 141.3
[M+NH4]+ 248.080523 159.5
[M+K]+ 269.009858 148.1
[M+H-H2O]+ 213.043960 132.4
[M+HCOO]- 275.044901 159.4
[M+CH3COO]- 289.060551 185.7
[M+Na-2H]- 251.021366 147.0
[M]+ 230.04615142 136.3
[M]- 230.04724858 136.3
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