CID 124203070

1632145-22-2

Structural Information

Molecular Formula
C15H13F2NO6
SMILES
C1CCC2(CC1)OC(=C(C(=O)O2)C3=C(C=CC(=C3F)F)[N+](=O)[O-])O
InChI
InChI=1S/C15H13F2NO6/c16-8-4-5-9(18(21)22)10(12(8)17)11-13(19)23-15(24-14(11)20)6-2-1-3-7-15/h4-5,19H,1-3,6-7H2
InChIKey
YNPJZRWVXJKVRP-UHFFFAOYSA-N
Compound name
3-(2,3-difluoro-6-nitrophenyl)-2-hydroxy-1,5-dioxaspiro[5.5]undec-2-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.0711 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.07838 172.8
[M+Na]+ 364.06032 179.3
[M-H]- 340.06382 179.0
[M+NH4]+ 359.10492 184.0
[M+K]+ 380.03426 174.0
[M+H-H2O]+ 324.06836 167.9
[M+HCOO]- 386.06930 187.2
[M+CH3COO]- 400.08495 201.3
[M+Na-2H]- 362.04577 178.0
[M]+ 341.07055 166.9
[M]- 341.07165 166.9
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.