CID 83397194

26018-67-7

Structural Information

Molecular Formula
C9H7FO3
SMILES
C1C(OC2=C1C=CC(=C2)F)C(=O)O
InChI
InChI=1S/C9H7FO3/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-2,4,8H,3H2,(H,11,12)
InChIKey
QYCMWISFBYJVHV-UHFFFAOYSA-N
Compound name
6-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

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.045196 132.6
[M+Na]+ 205.027138 141.8
[M-H]- 181.030644 135.7
[M+NH4]+ 200.071743 153.6
[M+K]+ 221.001078 140.5
[M+H-H2O]+ 165.035180 127.3
[M+HCOO]- 227.036121 152.8
[M+CH3COO]- 241.051771 177.5
[M+Na-2H]- 203.012586 138.0
[M]+ 182.03737142 132.1
[M]- 182.03846858 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

No patent data available for this compound.