CID 3253743

7-(heptafluoropropyl)-7-hydroxy-4,9-dimethoxy-6,7-dihydro-5h-furo[3,2-g][1]benzopyran-5-one

Structural Information

Molecular Formula
C16H11F7O6
SMILES
COC1=C2C(=O)CC(OC2=C(C3=C1C=CO3)OC)(C(C(C(F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C16H11F7O6/c1-26-9-6-3-4-28-10(6)12(27-2)11-8(9)7(24)5-13(25,29-11)14(17,18)15(19,20)16(21,22)23/h3-4,25H,5H2,1-2H3
InChIKey
YOOBVPCHJTZLKY-UHFFFAOYSA-N
Compound name
7-(1,1,2,2,3,3,3-heptafluoropropyl)-7-hydroxy-4,9-dimethoxy-6H-furo[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

432.04437 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.05165 188.6
[M+Na]+ 455.03359 201.0
[M-H]- 431.03709 186.5
[M+NH4]+ 450.07819 201.3
[M+K]+ 471.00753 199.5
[M+H-H2O]+ 415.04163 179.4
[M+HCOO]- 477.04257 195.2
[M+CH3COO]- 491.05822 223.3
[M+Na-2H]- 453.01904 195.2
[M]+ 432.04382 187.6
[M]- 432.04492 187.6
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.