CID 44329137

2-[(1s)-2,3-dihydro-1h-inden-1-yl]-4,5,6,7-tetrafluoroisoindole-1,3-dione

Structural Information

Molecular Formula
C17H9F4NO2
SMILES
C1CC2=CC=CC=C2[C@H]1N3C(=O)C4=C(C3=O)C(=C(C(=C4F)F)F)F
InChI
InChI=1S/C17H9F4NO2/c18-12-10-11(13(19)15(21)14(12)20)17(24)22(16(10)23)9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2/t9-/m0/s1
InChIKey
DJSKYZPZDYNMTH-VIFPVBQESA-N
Compound name
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-4,5,6,7-tetrafluoroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.05695 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.06423 171.6
[M+Na]+ 358.04617 185.2
[M-H]- 334.04967 175.6
[M+NH4]+ 353.09077 190.5
[M+K]+ 374.02011 177.9
[M+H-H2O]+ 318.05421 162.2
[M+HCOO]- 380.05515 188.2
[M+CH3COO]- 394.07080 183.5
[M+Na-2H]- 356.03162 168.4
[M]+ 335.05640 169.0
[M]- 335.05750 169.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.