CID 2774945

75823-64-2

Structural Information

Molecular Formula
C7H5F7N2
SMILES
CC1=CC(=NN1)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H5F7N2/c1-3-2-4(16-15-3)5(8,9)6(10,11)7(12,13)14/h2H,1H3,(H,15,16)
InChIKey
HGKNTSQKMGECCF-UHFFFAOYSA-N
Compound name
3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

250.03409 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.04137 144.2
[M+Na]+ 273.02331 154.3
[M-H]- 249.02681 135.7
[M+NH4]+ 268.06791 159.7
[M+K]+ 288.99725 150.5
[M+H-H2O]+ 233.03135 133.1
[M+HCOO]- 295.03229 153.6
[M+CH3COO]- 309.04794 190.1
[M+Na-2H]- 271.00876 148.2
[M]+ 250.03354 133.0
[M]- 250.03464 133.0
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.