CID 101907045

3-methyl-2-(nonafluorobutyl)-1h-indole

Structural Information

Molecular Formula
C13H8F9N
SMILES
CC1=C(NC2=CC=CC=C12)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H8F9N/c1-6-7-4-2-3-5-8(7)23-9(6)10(14,15)11(16,17)12(18,19)13(20,21)22/h2-5,23H,1H3
InChIKey
ACRSFVDYBBDIBA-UHFFFAOYSA-N
Compound name
3-methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

349.0513 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.05858 169.9
[M+Na]+ 372.04052 181.4
[M-H]- 348.04402 161.8
[M+NH4]+ 367.08512 183.9
[M+K]+ 388.01446 174.9
[M+H-H2O]+ 332.04856 157.8
[M+HCOO]- 394.04950 176.1
[M+CH3COO]- 408.06515 209.7
[M+Na-2H]- 370.02597 173.8
[M]+ 349.05075 158.0
[M]- 349.05185 158.0
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.