CID 58244030

2-(2,6-difluorophenoxy)-2-methylpropanoic acid

Structural Information

Molecular Formula
C10H10F2O3
SMILES
CC(C)(C(=O)O)OC1=C(C=CC=C1F)F
InChI
InChI=1S/C10H10F2O3/c1-10(2,9(13)14)15-8-6(11)4-3-5-7(8)12/h3-5H,1-2H3,(H,13,14)
InChIKey
VQSHVFXSIPANAA-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenoxy)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

216.0598 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06708 141.3
[M+Na]+ 239.04902 150.2
[M-H]- 215.05252 141.6
[M+NH4]+ 234.09362 159.5
[M+K]+ 255.02296 148.2
[M+H-H2O]+ 199.05706 134.6
[M+HCOO]- 261.05800 160.3
[M+CH3COO]- 275.07365 185.9
[M+Na-2H]- 237.03447 145.6
[M]+ 216.05925 140.7
[M]- 216.06035 140.7
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