CID 102367007

2-(nonafluorobutyl)-1-benzofuran

Structural Information

Molecular Formula
C12H5F9O
SMILES
C1=CC=C2C(=C1)C=C(O2)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H5F9O/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
PIOPUHSIOSKTAD-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.01965 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.02693 184.1
[M+Na]+ 359.00887 186.3
[M+NH4]+ 354.05347 184.2
[M+K]+ 374.98281 183.9
[M-H]- 335.01237 177.6
[M+Na-2H]- 356.99432 182.5
[M]+ 336.01910 182.3
[M]- 336.02020 182.3
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.