CID 23630529

954373-95-6

Structural Information

Molecular Formula
C7HF4IO4
SMILES
C12=C(C(=C(C(=C1I(=O)(OC2=O)O)F)F)F)F
InChI
InChI=1S/C7HF4IO4/c8-2-1-6(5(11)4(10)3(2)9)12(14,15)16-7(1)13/h(H,14,15)
InChIKey
OPFKDVCBUPHSII-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrafluoro-1-hydroxy-1-oxo-1lambda5,2-benziodoxol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.88556 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.89284 138.8
[M+Na]+ 374.87478 146.3
[M-H]- 350.87828 132.9
[M+NH4]+ 369.91938 155.1
[M+K]+ 390.84872 149.4
[M+H-H2O]+ 334.88282 129.0
[M+HCOO]- 396.88376 152.7
[M+CH3COO]- 410.89941 196.2
[M+Na-2H]- 372.86023 131.9
[M]+ 351.88501 135.1
[M]- 351.88611 135.1
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.