CID 23006209

5-ethyl-3-(trifluoromethyl)-1h-pyrazole

Structural Information

Molecular Formula
C6H7F3N2
SMILES
CCC1=CC(=NN1)C(F)(F)F
InChI
InChI=1S/C6H7F3N2/c1-2-4-3-5(11-10-4)6(7,8)9/h3H,2H2,1H3,(H,10,11)
InChIKey
KCNZLFVWIBQNTR-UHFFFAOYSA-N
Compound name
5-ethyl-3-(trifluoromethyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

164.05614 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06342 129.0
[M+Na]+ 187.04536 138.7
[M-H]- 163.04886 125.1
[M+NH4]+ 182.08996 148.4
[M+K]+ 203.01930 135.9
[M+H-H2O]+ 147.05340 120.5
[M+HCOO]- 209.05434 146.3
[M+CH3COO]- 223.06999 174.2
[M+Na-2H]- 185.03081 134.1
[M]+ 164.05559 123.9
[M]- 164.05669 123.9
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