CID 3088337

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

Structural Information

Molecular Formula
C15H14ClNO4
SMILES
CC1(C/C(=[N+](/C2=CC=C(C=C2)Cl)\[O-])/C3=C(O1)C(=O)OC3)C
InChI
InChI=1S/C15H14ClNO4/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
VDUBZZPVIDTGLY-SFQUDFHCSA-N
Compound name
N-(4-chlorophenyl)-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

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References

0
Patents

307.06113 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.06841 165.0
[M+Na]+ 330.05035 179.5
[M+NH4]+ 325.09495 175.0
[M+K]+ 346.02429 175.2
[M-H]- 306.05385 172.6
[M+Na-2H]- 328.03580 170.8
[M]+ 307.06058 169.6
[M]- 307.06168 169.6
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.

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No patent data available for this compound.