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

33
Patents

230.0467 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05398 142.9
[M+Na]+ 253.03592 153.4
[M-H]- 229.03942 141.3
[M+NH4]+ 248.08052 159.5
[M+K]+ 269.00986 148.1
[M+H-H2O]+ 213.04396 132.4
[M+HCOO]- 275.04490 159.4
[M+CH3COO]- 289.06055 185.7
[M+Na-2H]- 251.02137 147.0
[M]+ 230.04615 136.3
[M]- 230.04725 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