CID 14391760

2-[4-fluoro-3-(trifluoromethyl)phenoxy]butyric acid

Structural Information

Molecular Formula
C11H10F4O3
SMILES
CCC(C(=O)O)OC1=CC(=C(C=C1)F)C(F)(F)F
InChI
InChI=1S/C11H10F4O3/c1-2-9(10(16)17)18-6-3-4-8(12)7(5-6)11(13,14)15/h3-5,9H,2H2,1H3,(H,16,17)
InChIKey
BGLOVZBDNRAIMX-UHFFFAOYSA-N
Compound name
2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

28
Patents

266.0566 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06388 151.7
[M+Na]+ 289.04582 160.1
[M-H]- 265.04932 149.1
[M+NH4]+ 284.09042 167.7
[M+K]+ 305.01976 157.5
[M+H-H2O]+ 249.05386 142.9
[M+HCOO]- 311.05480 167.1
[M+CH3COO]- 325.07045 194.7
[M+Na-2H]- 287.03127 153.0
[M]+ 266.05605 148.2
[M]- 266.05715 148.2
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

No patent data available for this compound.