CID 79357600

2-fluoro-2-(3-formylphenoxy)acetic acid

Structural Information

Molecular Formula
C9H7FO4
SMILES
C1=CC(=CC(=C1)OC(C(=O)O)F)C=O
InChI
InChI=1S/C9H7FO4/c10-8(9(12)13)14-7-3-1-2-6(4-7)5-11/h1-5,8H,(H,12,13)
InChIKey
GTEPJHAXXLJMJE-UHFFFAOYSA-N
Compound name
2-fluoro-2-(3-formylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.03284 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.04012 136.5
[M+Na]+ 221.02206 144.3
[M-H]- 197.02556 137.8
[M+NH4]+ 216.06666 154.8
[M+K]+ 236.99600 143.0
[M+H-H2O]+ 181.03010 130.0
[M+HCOO]- 243.03104 157.8
[M+CH3COO]- 257.04669 180.7
[M+Na-2H]- 219.00751 140.6
[M]+ 198.03229 136.9
[M]- 198.03339 136.9
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.