CID 469561

3,4,5,6-tetrafluoro-n-methylphthalimide

Structural Information

Molecular Formula
C9H3F4NO2
SMILES
CN1C(=O)C2=C(C1=O)C(=C(C(=C2F)F)F)F
InChI
InChI=1S/C9H3F4NO2/c1-14-8(15)2-3(9(14)16)5(11)7(13)6(12)4(2)10/h1H3
InChIKey
AULXVJOTNZUFIY-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrafluoro-2-methylisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

54
Patents

233.01 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.01728 138.4
[M+Na]+ 255.99922 153.2
[M-H]- 232.00272 138.4
[M+NH4]+ 251.04382 159.1
[M+K]+ 271.97316 148.8
[M+H-H2O]+ 216.00726 130.2
[M+HCOO]- 278.00820 157.2
[M+CH3COO]- 292.02385 193.5
[M+Na-2H]- 253.98467 139.3
[M]+ 233.00945 136.5
[M]- 233.01055 136.5
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