CID 1789495

4,9-dimethoxy-7-(nonafluorobutyl)-5h-furo[3,2-g][1]benzopyran-5-one

Structural Information

Molecular Formula
C17H9F9O5
SMILES
COC1=C2C(=O)C=C(OC2=C(C3=C1C=CO3)OC)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C17H9F9O5/c1-28-10-6-3-4-30-11(6)13(29-2)12-9(10)7(27)5-8(31-12)14(18,19)15(20,21)16(22,23)17(24,25)26/h3-5H,1-2H3
InChIKey
BVUOXVSHTGNMRR-UHFFFAOYSA-N
Compound name
4,9-dimethoxy-7-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)furo[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

464.03064 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.03792 197.6
[M+Na]+ 487.01986 211.4
[M-H]- 463.02336 195.1
[M+NH4]+ 482.06446 207.8
[M+K]+ 502.99380 209.1
[M+H-H2O]+ 447.02790 185.9
[M+HCOO]- 509.02884 204.2
[M+CH3COO]- 523.04449 232.0
[M+Na-2H]- 485.00531 203.6
[M]+ 464.03009 196.1
[M]- 464.03119 196.1
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.