CID 69545

Tetrafluorophthalic anhydride

Structural Information

Molecular Formula
C8F4O3
SMILES
C12=C(C(=C(C(=C1F)F)F)F)C(=O)OC2=O
InChI
InChI=1S/C8F4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11
InChIKey
BJDDKZDZTHIIJB-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrafluoro-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1516
Patents

219.97836 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.98564 132.3
[M+Na]+ 242.96758 146.8
[M-H]- 218.97108 134.3
[M+NH4]+ 238.01218 153.4
[M+K]+ 258.94152 144.2
[M+H-H2O]+ 202.97562 125.1
[M+HCOO]- 264.97656 152.2
[M+CH3COO]- 278.99221 188.8
[M+Na-2H]- 240.95303 135.6
[M]+ 219.97781 131.3
[M]- 219.97891 131.3
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