CID 3753656

69484-34-0

Structural Information

Molecular Formula
C10H9F3O3
SMILES
CC(C(=O)O)OC1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C10H9F3O3/c1-6(9(14)15)16-8-4-2-7(3-5-8)10(11,12)13/h2-6H,1H3,(H,14,15)
InChIKey
ZZCGVEYHZSLNKD-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)phenoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

234.05038 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.057656 144.8
[M+Na]+ 257.039598 152.6
[M-H]- 233.043104 143.4
[M+NH4]+ 252.084203 161.9
[M+K]+ 273.013538 150.7
[M+H-H2O]+ 217.047640 137.0
[M+HCOO]- 279.048581 161.7
[M+CH3COO]- 293.064231 187.7
[M+Na-2H]- 255.025046 147.9
[M]+ 234.04983142 141.8
[M]- 234.05092858 141.8
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