CID 7131907

2-(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)acetic acid

Structural Information

Molecular Formula
C10H9FO4
SMILES
C1C2=C(C(=CC(=C2)F)CC(=O)O)OCO1
InChI
InChI=1S/C10H9FO4/c11-8-1-6(3-9(12)13)10-7(2-8)4-14-5-15-10/h1-2H,3-5H2,(H,12,13)
InChIKey
SKMRQOAUOJOYIN-UHFFFAOYSA-N
Compound name
2-(6-fluoro-4H-1,3-benzodioxin-8-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

212.0485 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.05578 143.6
[M+Na]+ 235.03772 155.2
[M+NH4]+ 230.08232 150.8
[M+K]+ 251.01166 150.8
[M-H]- 211.04122 146.0
[M+Na-2H]- 233.02317 146.7
[M]+ 212.04795 145.8
[M]- 212.04905 145.8
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