CID 12990481

26002-48-2

Structural Information

Molecular Formula
C11H11F3O3
SMILES
CC(C)(C(=O)O)OC1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C11H11F3O3/c1-10(2,9(15)16)17-8-5-3-7(4-6-8)11(12,13)14/h3-6H,1-2H3,(H,15,16)
InChIKey
PYSRGMCGNCBXSF-UHFFFAOYSA-N
Compound name
2-methyl-2-[4-(trifluoromethyl)phenoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

248.06602 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.073296 149.1
[M+Na]+ 271.055238 157.1
[M-H]- 247.058744 147.8
[M+NH4]+ 266.099843 165.7
[M+K]+ 287.029178 155.0
[M+H-H2O]+ 231.063280 141.6
[M+HCOO]- 293.064221 165.0
[M+CH3COO]- 307.079871 190.3
[M+Na-2H]- 269.040686 153.8
[M]+ 248.06547142 146.5
[M]- 248.06656858 146.5
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