CID 2776343

82633-43-0

Structural Information

Molecular Formula
C9H5F11N2
SMILES
CC1=CC(=NN1)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H5F11N2/c1-3-2-4(22-21-3)5(10,11)6(12,13)7(14,15)8(16,17)9(18,19)20/h2H,1H3,(H,21,22)
InChIKey
ADTJLQBSULGRRY-UHFFFAOYSA-N
Compound name
5-methyl-3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

350.0277 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.03498 164.9
[M+Na]+ 373.01692 174.8
[M-H]- 349.02042 152.4
[M+NH4]+ 368.06152 175.9
[M+K]+ 388.99086 170.2
[M+H-H2O]+ 333.02496 151.2
[M+HCOO]- 395.02590 166.3
[M+CH3COO]- 409.04155 209.1
[M+Na-2H]- 371.00237 167.8
[M]+ 350.02715 147.4
[M]- 350.02825 147.4
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.