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

16
Patents

186.03284 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.040116 133.2
[M+Na]+ 209.022058 141.8
[M-H]- 185.025564 133.4
[M+NH4]+ 204.066663 151.7
[M+K]+ 224.995998 140.0
[M+H-H2O]+ 169.030100 127.1
[M+HCOO]- 231.031041 154.1
[M+CH3COO]- 245.046691 176.3
[M+Na-2H]- 207.007506 137.7
[M]+ 186.03229142 133.0
[M]- 186.03338858 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