CID 54595372

1354951-91-9

Structural Information

Molecular Formula
C9H7FO3
SMILES
C1C(OC2=C1C=CC=C2F)C(=O)O
InChI
InChI=1S/C9H7FO3/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-3,7H,4H2,(H,11,12)
InChIKey
SWXYQTMGNFNTDC-UHFFFAOYSA-N
Compound name
7-fluoro-2,3-dihydro-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.03792 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04520 135.6
[M+Na]+ 205.02714 146.4
[M+NH4]+ 200.07174 143.4
[M+K]+ 221.00108 143.6
[M-H]- 181.03064 136.4
[M+Na-2H]- 203.01259 138.8
[M]+ 182.03737 137.1
[M]- 182.03847 137.1
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

No patent data available for this compound.