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

1
Patents

198.03284 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.040116 135.8
[M+Na]+ 221.022058 144.2
[M-H]- 197.025564 139.3
[M+NH4]+ 216.066663 152.9
[M+K]+ 236.995998 144.6
[M+H-H2O]+ 181.030100 129.4
[M+HCOO]- 243.031041 153.1
[M+CH3COO]- 257.046691 180.5
[M+Na-2H]- 219.007506 143.6
[M]+ 198.03229142 135.3
[M]- 198.03338858 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

patents stripe