CID 2775282

5-methoxy-2-(2,2,2-trifluoroethoxy)benzoic acid

Structural Information

Molecular Formula
C10H9F3O4
SMILES
COC1=CC(=C(C=C1)OCC(F)(F)F)C(=O)O
InChI
InChI=1S/C10H9F3O4/c1-16-6-2-3-8(7(4-6)9(14)15)17-5-10(11,12)13/h2-4H,5H2,1H3,(H,14,15)
InChIKey
HURIZVDDERDREG-UHFFFAOYSA-N
Compound name
5-methoxy-2-(2,2,2-trifluoroethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

250.04529 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.05257 155.9
[M+Na]+ 273.03451 163.7
[M+NH4]+ 268.07911 159.7
[M+K]+ 289.00845 160.2
[M-H]- 249.03801 151.0
[M+Na-2H]- 271.01996 157.9
[M]+ 250.04474 155.2
[M]- 250.04584 155.2
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