CID 23058072

5-(trifluoromethyl)-1-benzofuran

Structural Information

Molecular Formula
C9H5F3O
SMILES
C1=CC2=C(C=CO2)C=C1C(F)(F)F
InChI
InChI=1S/C9H5F3O/c10-9(11,12)7-1-2-8-6(5-7)3-4-13-8/h1-5H
InChIKey
PZCIAKIDGUSIMF-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

186.02925 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.03653 138.8
[M+Na]+ 209.01847 149.9
[M+NH4]+ 204.06307 146.1
[M+K]+ 224.99241 145.7
[M-H]- 185.02197 137.9
[M+Na-2H]- 207.00392 143.8
[M]+ 186.02870 140.1
[M]- 186.02980 140.1
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

patents stripe