CID 2782767

7-fluoroindan-1-one

Structural Information

Molecular Formula
C9H7FO
SMILES
C1CC(=O)C2=C1C=CC=C2F
InChI
InChI=1S/C9H7FO/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3H,4-5H2
InChIKey
ASSCRDJQEHFKSX-UHFFFAOYSA-N
Compound name
7-fluoro-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

150.0481 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.055376 125.6
[M+Na]+ 173.037318 135.6
[M-H]- 149.040824 129.4
[M+NH4]+ 168.081923 150.1
[M+K]+ 189.011258 132.8
[M+H-H2O]+ 133.045360 120.1
[M+HCOO]- 195.046301 148.8
[M+CH3COO]- 209.061951 175.2
[M+Na-2H]- 171.022766 131.7
[M]+ 150.04755142 124.0
[M]- 150.04864858 124.0
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