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

1
Patents

286.0341 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.041376 154.3
[M+Na]+ 309.023318 165.9
[M-H]- 285.026824 147.1
[M+NH4]+ 304.067923 169.6
[M+K]+ 324.997258 160.1
[M+H-H2O]+ 269.031360 142.8
[M+HCOO]- 331.032301 164.1
[M+CH3COO]- 345.047951 195.3
[M+Na-2H]- 307.008766 160.6
[M]+ 286.03355142 144.9
[M]- 286.03464858 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

patents stripe