CID 2776179

129257-23-4

Structural Information

Molecular Formula
C10H5F13N2
SMILES
CC1=CC(=NN1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F13N2/c1-3-2-4(25-24-3)5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2H,1H3,(H,24,25)
InChIKey
YGVRSXJNRYYOAC-UHFFFAOYSA-N
Compound name
5-methyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

400.0245 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.03178 175.7
[M+Na]+ 423.01372 185.5
[M-H]- 399.01722 161.6
[M+NH4]+ 418.05832 184.5
[M+K]+ 438.98766 180.6
[M+H-H2O]+ 383.02176 161.0
[M+HCOO]- 445.02270 173.4
[M+CH3COO]- 459.03835 218.3
[M+Na-2H]- 420.99917 178.2
[M]+ 400.02395 155.1
[M]- 400.02505 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.