CID 68994

Fluoran

Structural Information

Molecular Formula
C20H12O3
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=CC=CC=C4OC5=CC=CC=C35
InChI
InChI=1S/C20H12O3/c21-19-13-7-1-2-8-14(13)20(23-19)15-9-3-5-11-17(15)22-18-12-6-4-10-16(18)20/h1-12H
InChIKey
FWQHNLCNFPYBCA-UHFFFAOYSA-N
Compound name
spiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

19317
Patents

300.07864 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.08592 165.6
[M+Na]+ 323.06786 176.6
[M-H]- 299.07136 176.0
[M+NH4]+ 318.11246 185.0
[M+K]+ 339.04180 172.8
[M+H-H2O]+ 283.07590 157.6
[M+HCOO]- 345.07684 183.7
[M+CH3COO]- 359.09249 178.6
[M+Na-2H]- 321.05331 174.3
[M]+ 300.07809 167.6
[M]- 300.07919 167.6
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