CID 117201585

5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-carboxylic acid

Structural Information

Molecular Formula
C10H7F3O3
SMILES
C1C(C2=C(O1)C=CC(=C2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C10H7F3O3/c11-10(12,13)5-1-2-8-6(3-5)7(4-16-8)9(14)15/h1-3,7H,4H2,(H,14,15)
InChIKey
DOFYLJOGDBJIBH-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.03473 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.04201 143.1
[M+Na]+ 255.02395 152.4
[M-H]- 231.02745 143.5
[M+NH4]+ 250.06855 162.0
[M+K]+ 270.99789 150.5
[M+H-H2O]+ 215.03199 136.3
[M+HCOO]- 277.03293 159.2
[M+CH3COO]- 291.04858 185.8
[M+Na-2H]- 253.00940 147.6
[M]+ 232.03418 140.0
[M]- 232.03528 140.0
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.