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]+ 267.063876 151.7
[M+Na]+ 289.045818 160.1
[M-H]- 265.049324 149.1
[M+NH4]+ 284.090423 167.7
[M+K]+ 305.019758 157.5
[M+H-H2O]+ 249.053860 142.9
[M+HCOO]- 311.054801 167.1
[M+CH3COO]- 325.070451 194.7
[M+Na-2H]- 287.031266 153.0
[M]+ 266.05605142 148.2
[M]- 266.05714858 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

literature stripe

Patent stripe

patents stripe