CID 7131907

885526-71-6

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]+ 213.055776 140.7
[M+Na]+ 235.037718 148.6
[M-H]- 211.041224 144.0
[M+NH4]+ 230.082323 157.2
[M+K]+ 251.011658 148.7
[M+H-H2O]+ 195.045760 134.1
[M+HCOO]- 257.046701 157.6
[M+CH3COO]- 271.062351 183.5
[M+Na-2H]- 233.023166 147.8
[M]+ 212.04795142 140.5
[M]- 212.04904858 140.5
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