CID 84716972

1-fluoro-2,3-dihydro-1h-indene-4-carbaldehyde

Structural Information

Molecular Formula
C10H9FO
SMILES
C1CC2=C(C=CC=C2C1F)C=O
InChI
InChI=1S/C10H9FO/c11-10-5-4-8-7(6-12)2-1-3-9(8)10/h1-3,6,10H,4-5H2
InChIKey
VQCZPFYLKUIWOO-UHFFFAOYSA-N
Compound name
1-fluoro-2,3-dihydro-1H-indene-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.06374 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.071016 130.4
[M+Na]+ 187.052958 140.0
[M-H]- 163.056464 134.1
[M+NH4]+ 182.097563 154.3
[M+K]+ 203.026898 136.9
[M+H-H2O]+ 147.061000 124.7
[M+HCOO]- 209.061941 153.3
[M+CH3COO]- 223.077591 178.2
[M+Na-2H]- 185.038406 135.9
[M]+ 164.06319142 129.2
[M]- 164.06428858 129.2
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.