CID 84668016

6-fluoro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid

Structural Information

Molecular Formula
C9H7FO4
SMILES
C1COC2=C(O1)C=CC(=C2C(=O)O)F
InChI
InChI=1S/C9H7FO4/c10-5-1-2-6-8(7(5)9(11)12)14-4-3-13-6/h1-2H,3-4H2,(H,11,12)
InChIKey
YUENKPSGHHMVKI-UHFFFAOYSA-N
Compound name
6-fluoro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.03284 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.04012 135.8
[M+Na]+ 221.02206 144.2
[M-H]- 197.02556 139.3
[M+NH4]+ 216.06666 152.9
[M+K]+ 236.99600 144.6
[M+H-H2O]+ 181.03010 129.4
[M+HCOO]- 243.03104 153.1
[M+CH3COO]- 257.04669 180.5
[M+Na-2H]- 219.00751 143.6
[M]+ 198.03229 135.3
[M]- 198.03339 135.3
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.