CID 125487271

2-(nonafluorobutyl)-1h-indole

Structural Information

Molecular Formula
C12H6F9N
SMILES
C1=CC=C2C(=C1)C=C(N2)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H6F9N/c13-9(14,10(15,16)11(17,18)12(19,20)21)8-5-6-3-1-2-4-7(6)22-8/h1-5,22H
InChIKey
JSPZUTBVNOQHNJ-UHFFFAOYSA-N
Compound name
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

335.03564 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.04292 165.0
[M+Na]+ 358.02486 176.1
[M-H]- 334.02836 156.7
[M+NH4]+ 353.06946 179.3
[M+K]+ 373.99880 169.7
[M+H-H2O]+ 318.03290 152.8
[M+HCOO]- 380.03384 171.6
[M+CH3COO]- 394.04949 205.7
[M+Na-2H]- 356.01031 170.0
[M]+ 335.03509 152.5
[M]- 335.03619 152.5
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.