CID 5005117

Tetrafluorophthalimide

Structural Information

Molecular Formula
C8HF4NO2
SMILES
C12=C(C(=C(C(=C1F)F)F)F)C(=O)NC2=O
InChI
InChI=1S/C8HF4NO2/c9-3-1-2(8(15)13-7(1)14)4(10)6(12)5(3)11/h(H,13,14,15)
InChIKey
GXHIOZHDNIONPT-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrafluoroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

131
Patents

218.99434 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.00162 134.8
[M+Na]+ 241.98356 148.7
[M-H]- 217.98706 133.2
[M+NH4]+ 237.02816 155.1
[M+K]+ 257.95750 143.6
[M+H-H2O]+ 201.99160 126.8
[M+HCOO]- 263.99254 152.5
[M+CH3COO]- 278.00819 186.7
[M+Na-2H]- 239.96901 136.4
[M]+ 218.99379 130.4
[M]- 218.99489 130.4
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

patents stripe