CID 14717191

2-(heptafluoropropyl)-1h-indole

Structural Information

Molecular Formula
C11H6F7N
SMILES
C1=CC=C2C(=C1)C=C(N2)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H6F7N/c12-9(13,10(14,15)11(16,17)18)8-5-6-3-1-2-4-7(6)19-8/h1-5,19H
InChIKey
SWGJHJPLSVAHJS-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

285.03885 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.04613 154.0
[M+Na]+ 308.02807 165.1
[M-H]- 284.03157 147.9
[M+NH4]+ 303.07267 170.6
[M+K]+ 324.00201 159.2
[M+H-H2O]+ 268.03611 143.2
[M+HCOO]- 330.03705 164.7
[M+CH3COO]- 344.05270 196.3
[M+Na-2H]- 306.01352 159.8
[M]+ 285.03830 144.5
[M]- 285.03940 144.5
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.