CID 45155814

11-(nonafluorobutyl)-9,10-dihydro-9,10-(epithiomethano)anthracene

Structural Information

Molecular Formula
C19H11F9S
SMILES
C1=CC=C2C3C4=CC=CC=C4C(C2=C1)C(S3)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C19H11F9S/c20-16(21,17(22,23)18(24,25)19(26,27)28)15-13-9-5-1-3-7-11(9)14(29-15)12-8-4-2-6-10(12)13/h1-8,13-15H
InChIKey
QJNFXQRNAOKHEU-UHFFFAOYSA-N
Compound name
16-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.04376 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.05104 168.9
[M+Na]+ 465.03298 171.0
[M+NH4]+ 460.07758 170.5
[M+K]+ 481.00692 168.1
[M-H]- 441.03648 162.6
[M+Na-2H]- 463.01843 168.1
[M]+ 442.04321 167.4
[M]- 442.04431 167.4
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.