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 169.7
[M+Na]+ 330.05035 177.7
[M-H]- 306.05385 178.4
[M+NH4]+ 325.09495 186.7
[M+K]+ 346.02429 171.0
[M+H-H2O]+ 290.05839 169.2
[M+HCOO]- 352.05933 184.8
[M+CH3COO]- 366.07498 196.0
[M+Na-2H]- 328.03580 175.4
[M]+ 307.06058 170.5
[M]- 307.06168 170.5
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.