CID 2777311

175204-35-0

Structural Information

Molecular Formula
C10H9F3O4
SMILES
CC(C(=O)O)OC1=CC=C(C=C1)OC(F)(F)F
InChI
InChI=1S/C10H9F3O4/c1-6(9(14)15)16-7-2-4-8(5-3-7)17-10(11,12)13/h2-6H,1H3,(H,14,15)
InChIKey
NVWNMNYBXVGBEN-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethoxy)phenoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

250.04529 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.05257 147.7
[M+Na]+ 273.03451 155.4
[M-H]- 249.03801 146.3
[M+NH4]+ 268.07911 164.0
[M+K]+ 289.00845 154.0
[M+H-H2O]+ 233.04255 139.6
[M+HCOO]- 295.04349 164.8
[M+CH3COO]- 309.05914 189.8
[M+Na-2H]- 271.01996 150.9
[M]+ 250.04474 146.2
[M]- 250.04584 146.2
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