CID 66995604

2-(4-fluoro-2-hydroxyphenoxy)acetic acid

Structural Information

Molecular Formula
C8H7FO4
SMILES
C1=CC(=C(C=C1F)O)OCC(=O)O
InChI
InChI=1S/C8H7FO4/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3,10H,4H2,(H,11,12)
InChIKey
VEWYELIASXTVRO-UHFFFAOYSA-N
Compound name
2-(4-fluoro-2-hydroxyphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

186.03284 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.04012 133.2
[M+Na]+ 209.02206 141.8
[M-H]- 185.02556 133.4
[M+NH4]+ 204.06666 151.7
[M+K]+ 224.99600 140.0
[M+H-H2O]+ 169.03010 127.1
[M+HCOO]- 231.03104 154.1
[M+CH3COO]- 245.04669 176.3
[M+Na-2H]- 207.00751 137.7
[M]+ 186.03229 133.0
[M]- 186.03339 133.0
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