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

102
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 130.1
[M+Na]+ 209.01847 141.7
[M-H]- 185.02197 132.4
[M+NH4]+ 204.06307 151.9
[M+K]+ 224.99241 139.6
[M+H-H2O]+ 169.02651 123.1
[M+HCOO]- 231.02745 151.4
[M+CH3COO]- 245.04310 179.6
[M+Na-2H]- 207.00392 139.1
[M]+ 186.02870 129.5
[M]- 186.02980 129.5
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