CID 3088335

3,4-dihydro-2,2-dimethyl-4-((4-fluorophenyl)imino)-2h-furo(3,4-b)pyran-7(5h)-one n-oxide

Structural Information

Molecular Formula
C15H14FNO4
SMILES
CC1(C/C(=[N+](/C2=CC=C(C=C2)F)\[O-])/C3=C(O1)C(=O)OC3)C
InChI
InChI=1S/C15H14FNO4/c1-15(2)7-12(11-8-20-14(18)13(11)21-15)17(19)10-5-3-9(16)4-6-10/h3-6H,7-8H2,1-2H3/b17-12+
InChIKey
YDVQKXADKJTCMZ-SFQUDFHCSA-N
Compound name
N-(4-fluorophenyl)-2,2-dimethyl-7-oxo-3,5-dihydrofuro[3,4-b]pyran-4-imine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.0907 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09798 163.4
[M+Na]+ 314.07992 171.2
[M-H]- 290.08342 171.3
[M+NH4]+ 309.12452 180.3
[M+K]+ 330.05386 165.5
[M+H-H2O]+ 274.08796 161.3
[M+HCOO]- 336.08890 182.3
[M+CH3COO]- 350.10455 195.0
[M+Na-2H]- 312.06537 169.5
[M]+ 291.09015 161.1
[M]- 291.09125 161.1
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.