CID 155943580

1-cyclopentyl-5-(trifluoromethyl)-1h-pyrazole

Structural Information

Molecular Formula
C9H11F3N2
SMILES
C1CCC(C1)N2C(=CC=N2)C(F)(F)F
InChI
InChI=1S/C9H11F3N2/c10-9(11,12)8-5-6-13-14(8)7-3-1-2-4-7/h5-7H,1-4H2
InChIKey
ZTYVVTMTSKCRJL-UHFFFAOYSA-N
Compound name
1-cyclopentyl-5-(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]+ 205.09471 148.4
[M+Na]+ 227.07665 155.6
[M+NH4]+ 222.12125 154.1
[M+K]+ 243.05059 153.8
[M-H]- 203.08015 145.3
[M+Na-2H]- 225.06210 151.6
[M]+ 204.08688 148.1
[M]- 204.08798 148.1
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.