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 140.7
[M+Na]+ 235.03772 148.6
[M-H]- 211.04122 144.0
[M+NH4]+ 230.08232 157.2
[M+K]+ 251.01166 148.7
[M+H-H2O]+ 195.04576 134.1
[M+HCOO]- 257.04670 157.6
[M+CH3COO]- 271.06235 183.5
[M+Na-2H]- 233.02317 147.8
[M]+ 212.04795 140.5
[M]- 212.04905 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