CID 388152

Nsc682716

Structural Information

Molecular Formula
C20H15FO5
SMILES
CC1(C(C2=C(O1)C=CC3=C2OC(=CC3=O)C4=CC=C(C=C4)F)C(=O)O)C
InChI
InChI=1S/C20H15FO5/c1-20(2)17(19(23)24)16-14(26-20)8-7-12-13(22)9-15(25-18(12)16)10-3-5-11(21)6-4-10/h3-9,17H,1-2H3,(H,23,24)
InChIKey
BNXPSWIKHDGCLZ-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-8,8-dimethyl-4-oxo-9H-furo[2,3-h]chromene-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.09036 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.09764 179.0
[M+Na]+ 377.07958 190.7
[M-H]- 353.08308 187.8
[M+NH4]+ 372.12418 194.8
[M+K]+ 393.05352 188.1
[M+H-H2O]+ 337.08762 171.7
[M+HCOO]- 399.08856 195.8
[M+CH3COO]- 413.10421 191.2
[M+Na-2H]- 375.06503 182.4
[M]+ 354.08981 183.4
[M]- 354.09091 183.4
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.