CID 207734

30627-45-3

Structural Information

Molecular Formula
C14H12FNO3
SMILES
C1CC2C3[C@H]([C@@H]1O2)C(=O)N(C3=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C14H12FNO3/c15-7-1-3-8(4-2-7)16-13(17)11-9-5-6-10(19-9)12(11)14(16)18/h1-4,9-12H,5-6H2/t9-,10?,11+,12?/m1/s1
InChIKey
JZOOGZLOTZJKAO-ZYGVAYEYSA-N
Compound name
(7R,7aR)-2-(4-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.0801 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08738 157.9
[M+Na]+ 284.06932 167.5
[M+NH4]+ 279.11392 166.0
[M+K]+ 300.04326 167.6
[M-H]- 260.07282 159.2
[M+Na-2H]- 282.05477 157.7
[M]+ 261.07955 159.3
[M]- 261.08065 159.3
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.