CID 13102403

89197-63-7

Structural Information

Molecular Formula
C9H7FO3
SMILES
C1C(OC2=C1C=C(C=C2)F)C(=O)O
InChI
InChI=1S/C9H7FO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-3,8H,4H2,(H,11,12)
InChIKey
QLNKTQSTCJIKOC-UHFFFAOYSA-N
Compound name
5-fluoro-2,3-dihydro-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
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