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

143
Patents

166.04301 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05029 128.8
[M+Na]+ 189.03223 139.3
[M-H]- 165.03573 131.6
[M+NH4]+ 184.07683 152.2
[M+K]+ 205.00617 136.0
[M+H-H2O]+ 149.04027 123.7
[M+HCOO]- 211.04121 150.8
[M+CH3COO]- 225.05686 175.7
[M+Na-2H]- 187.01768 133.9
[M]+ 166.04246 127.3
[M]- 166.04356 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