CID 7147403

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

Structural Information

Molecular Formula
C7H8F2N2
SMILES
C1CC1C2=CC(=NN2)C(F)F
InChI
InChI=1S/C7H8F2N2/c8-7(9)6-3-5(10-11-6)4-1-2-4/h3-4,7H,1-2H2,(H,10,11)
InChIKey
QOGBWRRHJQSLCY-UHFFFAOYSA-N
Compound name
5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

158.06555 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.072826 128.6
[M+Na]+ 181.054768 138.9
[M-H]- 157.058274 129.8
[M+NH4]+ 176.099373 143.0
[M+K]+ 197.028708 134.6
[M+H-H2O]+ 141.062810 119.5
[M+HCOO]- 203.063751 147.9
[M+CH3COO]- 217.079401 177.7
[M+Na-2H]- 179.040216 132.3
[M]+ 158.06500142 126.3
[M]- 158.06609858 126.3
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