CID 15268488

136191-16-7

Structural Information

Molecular Formula
C9H7FO2
SMILES
C1CC(=O)C2=C(C=CC(=C21)F)O
InChI
InChI=1S/C9H7FO2/c10-6-2-4-8(12)9-5(6)1-3-7(9)11/h2,4,12H,1,3H2
InChIKey
SCUZCYGMCGKOPP-UHFFFAOYSA-N
Compound name
4-fluoro-7-hydroxy-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

166.04301 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.050286 128.8
[M+Na]+ 189.032228 139.3
[M-H]- 165.035734 131.6
[M+NH4]+ 184.076833 152.2
[M+K]+ 205.006168 136.0
[M+H-H2O]+ 149.040270 123.7
[M+HCOO]- 211.041211 150.8
[M+CH3COO]- 225.056861 175.7
[M+Na-2H]- 187.017676 133.9
[M]+ 166.04246142 127.3
[M]- 166.04355858 127.3
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