CID 84718614

6-fluoro-2,3-dihydro-1-benzofuran-7-carboxylic acid

Structural Information

Molecular Formula
C9H7FO3
SMILES
C1COC2=C1C=CC(=C2C(=O)O)F
InChI
InChI=1S/C9H7FO3/c10-6-2-1-5-3-4-13-8(5)7(6)9(11)12/h1-2H,3-4H2,(H,11,12)
InChIKey
OSMYJRVPLJZSLA-UHFFFAOYSA-N
Compound name
6-fluoro-2,3-dihydro-1-benzofuran-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

182.03792 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04520 132.6
[M+Na]+ 205.02714 141.8
[M-H]- 181.03064 135.7
[M+NH4]+ 200.07174 153.6
[M+K]+ 221.00108 140.5
[M+H-H2O]+ 165.03518 127.3
[M+HCOO]- 227.03612 152.8
[M+CH3COO]- 241.05177 177.5
[M+Na-2H]- 203.01259 138.0
[M]+ 182.03737 132.1
[M]- 182.03847 132.1
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