CID 3088336

3,4-dihydro-4-((3-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(=CC=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)10-5-3-4-9(16)6-10/h3-6H,7-8H2,1-2H3/b17-12+
InChIKey
QEXIKJWWQLKBGT-SFQUDFHCSA-N
Compound name
N-(3-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

0
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.

Patent stripe

No patent data available for this compound.