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

186
Patents

176.05614 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06342 130.6
[M+Na]+ 199.04536 141.6
[M-H]- 175.04886 130.7
[M+NH4]+ 194.08996 144.5
[M+K]+ 215.01930 136.9
[M+H-H2O]+ 159.05340 121.2
[M+HCOO]- 221.05434 148.3
[M+CH3COO]- 235.06999 179.3
[M+Na-2H]- 197.03081 135.6
[M]+ 176.05559 127.2
[M]- 176.05669 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