CID 25023574

6-fluoro-2,3-dihydro-1h-indene-1-carboxylic acid

Structural Information

Molecular Formula
C10H9FO2
SMILES
C1CC2=C(C1C(=O)O)C=C(C=C2)F
InChI
InChI=1S/C10H9FO2/c11-7-3-1-6-2-4-8(10(12)13)9(6)5-7/h1,3,5,8H,2,4H2,(H,12,13)
InChIKey
VZDRQAOWBACVNX-UHFFFAOYSA-N
Compound name
6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

180.05865 Da
Monoisotopic Mass

1.9
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

literature stripe

Patent stripe

patents stripe