CID 125483927

2-(nonafluorobutyl)-1-benzothiophene

Structural Information

Molecular Formula
C12H5F9S
SMILES
C1=CC=C2C(=C1)C=C(S2)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H5F9S/c13-9(14,10(15,16)11(17,18)12(19,20)21)8-5-6-3-1-2-4-7(6)22-8/h1-5H
InChIKey
HRDRZDZAIJKOFP-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.99683 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.00411 184.6
[M+Na]+ 374.98605 186.4
[M+NH4]+ 370.03065 185.0
[M+K]+ 390.95999 183.1
[M-H]- 350.98955 177.8
[M+Na-2H]- 372.97150 183.1
[M]+ 351.99628 182.9
[M]- 351.99738 182.9
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.