CID 7147438

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

Structural Information

Molecular Formula
C7H7F3N2
SMILES
C1CC1C2=CC(=NN2)C(F)(F)F
InChI
InChI=1S/C7H7F3N2/c8-7(9,10)6-3-5(11-12-6)4-1-2-4/h3-4H,1-2H2,(H,11,12)
InChIKey
SUCMXFIPSVVVQE-UHFFFAOYSA-N
Compound name
5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
Patents

176.05614 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.063416 130.6
[M+Na]+ 199.045358 141.6
[M-H]- 175.048864 130.7
[M+NH4]+ 194.089963 144.5
[M+K]+ 215.019298 136.9
[M+H-H2O]+ 159.053400 121.2
[M+HCOO]- 221.054341 148.3
[M+CH3COO]- 235.069991 179.3
[M+Na-2H]- 197.030806 135.6
[M]+ 176.05559142 127.2
[M]- 176.05668858 127.2
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