CID 21986118

628732-48-9

Structural Information

Molecular Formula
C10H9FO2
SMILES
C1CC2=C(C1C(=O)O)C=CC(=C2)F
InChI
InChI=1S/C10H9FO2/c11-7-2-4-8-6(5-7)1-3-9(8)10(12)13/h2,4-5,9H,1,3H2,(H,12,13)
InChIKey
AXUVBHSQWRRJSD-UHFFFAOYSA-N
Compound name
5-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

180.05865 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06593 134.6
[M+Na]+ 203.04787 143.4
[M-H]- 179.05137 136.9
[M+NH4]+ 198.09247 157.0
[M+K]+ 219.02181 140.3
[M+H-H2O]+ 163.05591 129.1
[M+HCOO]- 225.05685 155.1
[M+CH3COO]- 239.07250 178.4
[M+Na-2H]- 201.03332 138.4
[M]+ 180.05810 132.3
[M]- 180.05920 132.3
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