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
2
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 163.2
[M+Na]+ 359.00887 174.8
[M-H]- 335.01237 158.2
[M+NH4]+ 354.05347 178.2
[M+K]+ 374.98281 171.0
[M+H-H2O]+ 319.01691 151.7
[M+HCOO]- 381.01785 172.0
[M+CH3COO]- 395.03350 207.7
[M+Na-2H]- 356.99432 169.7
[M]+ 336.01910 153.9
[M]- 336.02020 153.9
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.