CID 125482326

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

Structural Information

Molecular Formula
C13H8F9N
SMILES
CN1C2=CC=CC=C2C=C1C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H8F9N/c1-23-8-5-3-2-4-7(8)6-9(23)10(14,15)11(16,17)12(18,19)13(20,21)22/h2-6H,1H3
InChIKey
IRBXNKVJFDBXNO-UHFFFAOYSA-N
Compound name
1-methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

349.0513 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.05858 170.2
[M+Na]+ 372.04052 182.1
[M-H]- 348.04402 163.5
[M+NH4]+ 367.08512 184.9
[M+K]+ 388.01446 176.4
[M+H-H2O]+ 332.04856 157.7
[M+HCOO]- 394.04950 177.9
[M+CH3COO]- 408.06515 212.2
[M+Na-2H]- 370.02597 174.4
[M]+ 349.05075 160.1
[M]- 349.05185 160.1
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.