CID 66016918

1-cyclopentyl-3-(trifluoromethyl)pyrazole

Structural Information

Molecular Formula
C9H11F3N2
SMILES
C1CCC(C1)N2C=CC(=N2)C(F)(F)F
InChI
InChI=1S/C9H11F3N2/c10-9(11,12)8-5-6-14(13-8)7-3-1-2-4-7/h5-7H,1-4H2
InChIKey
QEJYBYQGUSANCM-UHFFFAOYSA-N
Compound name
1-cyclopentyl-3-(trifluoromethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08743 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.094706 140.3
[M+Na]+ 227.076648 148.3
[M-H]- 203.080154 140.5
[M+NH4]+ 222.121253 160.0
[M+K]+ 243.050588 145.9
[M+H-H2O]+ 187.084690 130.7
[M+HCOO]- 249.085631 157.6
[M+CH3COO]- 263.101281 182.5
[M+Na-2H]- 225.062096 142.1
[M]+ 204.08688142 133.9
[M]- 204.08797858 133.9
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

No patent data available for this compound.