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

104
Patents

158.06555 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.07283 128.6
[M+Na]+ 181.05477 138.9
[M-H]- 157.05827 129.8
[M+NH4]+ 176.09937 143.0
[M+K]+ 197.02871 134.6
[M+H-H2O]+ 141.06281 119.5
[M+HCOO]- 203.06375 147.9
[M+CH3COO]- 217.07940 177.7
[M+Na-2H]- 179.04022 132.3
[M]+ 158.06500 126.3
[M]- 158.06610 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