CID 3270022

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

Structural Information

Molecular Formula
C17H11F9O6
SMILES
COC1=C2C(=O)CC(OC2=C(C3=C1C=CO3)OC)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C17H11F9O6/c1-29-9-6-3-4-31-10(6)12(30-2)11-8(9)7(27)5-13(28,32-11)14(18,19)15(20,21)16(22,23)17(24,25)26/h3-4,28H,5H2,1-2H3
InChIKey
LYIZXAZAVJKRNW-UHFFFAOYSA-N
Compound name
7-hydroxy-4,9-dimethoxy-7-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-6H-furo[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

482.0412 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.04848 199.7
[M+Na]+ 505.03042 211.9
[M-H]- 481.03392 195.3
[M+NH4]+ 500.07502 210.2
[M+K]+ 521.00436 210.3
[M+H-H2O]+ 465.03846 189.4
[M+HCOO]- 527.03940 202.3
[M+CH3COO]- 541.05505 232.1
[M+Na-2H]- 503.01587 206.2
[M]+ 482.04065 195.6
[M]- 482.04175 195.6
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.