CID 67613

4-(trifluoromethoxy)benzoic acid

Structural Information

Molecular Formula
C8H5F3O3
SMILES
C1=CC(=CC=C1C(=O)O)OC(F)(F)F
InChI
InChI=1S/C8H5F3O3/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
InChIKey
RATSANVPHHXDCT-UHFFFAOYSA-N
Compound name
4-(trifluoromethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1523
Patents

206.01907 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02635 144.3
[M+Na]+ 229.00829 152.7
[M+NH4]+ 224.05289 149.0
[M+K]+ 244.98223 149.0
[M-H]- 205.01179 140.0
[M+Na-2H]- 226.99374 147.6
[M]+ 206.01852 143.9
[M]- 206.01962 143.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe