CID 138396393

5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1h-indazole

Structural Information

Molecular Formula
C10H5F7N2
SMILES
C1=CC2=C(C=C1C(C(F)(F)F)(C(F)(F)F)F)C=NN2
InChI
InChI=1S/C10H5F7N2/c11-8(9(12,13)14,10(15,16)17)6-1-2-7-5(3-6)4-18-19-7/h1-4H,(H,18,19)
InChIKey
IVXOJEBXGRVURA-UHFFFAOYSA-N
Compound name
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

286.0341 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.04138 154.3
[M+Na]+ 309.02332 165.9
[M-H]- 285.02682 147.1
[M+NH4]+ 304.06792 169.6
[M+K]+ 324.99726 160.1
[M+H-H2O]+ 269.03136 142.8
[M+HCOO]- 331.03230 164.1
[M+CH3COO]- 345.04795 195.3
[M+Na-2H]- 307.00877 160.6
[M]+ 286.03355 144.9
[M]- 286.03465 144.9
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.