CID 117278231

1891238-41-7

Structural Information

Molecular Formula
C10H9FO2
SMILES
C1CC2=C(C1)C(=C(C=C2)C(=O)O)F
InChI
InChI=1S/C10H9FO2/c11-9-7-3-1-2-6(7)4-5-8(9)10(12)13/h4-5H,1-3H2,(H,12,13)
InChIKey
KCVUGRWQXXPLAS-UHFFFAOYSA-N
Compound name
4-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.05865 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.065926 134.6
[M+Na]+ 203.047868 143.4
[M-H]- 179.051374 136.9
[M+NH4]+ 198.092473 157.0
[M+K]+ 219.021808 140.3
[M+H-H2O]+ 163.055910 129.1
[M+HCOO]- 225.056851 155.1
[M+CH3COO]- 239.072501 178.4
[M+Na-2H]- 201.033316 138.4
[M]+ 180.05810142 132.3
[M]- 180.05919858 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

No patent data available for this compound.